REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2j0d_1_B DATA FIRST_RESID 26 DATA SEQUENCE GTHSHGLFKK LGIPGPTPLP FLGNILSYHK GFCMFDMECH KKYGKVWGFY DATA SEQUENCE DGQQPVLAIT DPDMIKTVLV KECYSVFTNR RPFGPVGFMK SAISIAEDEE DATA SEQUENCE WKRLRSLLSP TFTSGKLKEM VPIIAQYGDV LVRNLRREAE TGKPVTLKDV DATA SEQUENCE FGAYSMDVIT STSFGVNIDS XXNPQDPFVE NTKKLXXXXX XXPFFLSITV DATA SEQUENCE FPFLIPILEV LNICVFPREV TNFLRKSVKR MKESRXXXXX XXXXXFLQLM DATA SEQUENCE IDSQXXXXXX XHKALSDLEL VAQSIIFIFA GYETTSSVLS FIMYELATHP DATA SEQUENCE DVQQKLQEEI DAVLPNKAPP TYDTVLQMEY LDMVVNETLR LFPIAMRLER DATA SEQUENCE VCKKDVEING MFIPKGVVVM IPSYALHRDP KYWTEPEKFL PERFSKKNKD DATA SEQUENCE NIDPYIYTPF GSGPRNCIGM RFALMNMKLA LIRVLQNFSF KPCKETQIPL DATA SEQUENCE KLSLGGLLQP EKPVVLKVES R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.968 3.960 0.013 0.000 0.244 26 G C 0.000 174.438 174.900 -0.771 0.000 0.946 26 G CA 0.000 44.328 45.100 -1.287 0.000 0.502 27 T N -2.067 112.176 114.554 -0.517 0.000 3.337 27 T HA 0.267 4.625 4.350 0.013 0.000 0.299 27 T C 1.258 175.664 174.700 -0.490 0.000 0.998 27 T CA 0.758 62.507 62.100 -0.586 0.000 0.948 27 T CB 0.222 68.969 68.868 -0.203 0.000 1.170 27 T HN 0.274 nan 8.240 nan 0.000 0.508 28 H N 2.642 121.450 119.070 -0.437 0.000 2.272 28 H HA -0.124 4.439 4.556 0.012 0.000 0.289 28 H C 1.854 177.054 175.328 -0.213 0.000 1.100 28 H CA 2.545 58.440 56.048 -0.256 0.000 1.209 28 H CB -0.499 29.154 29.762 -0.181 0.000 1.348 28 H HN 0.380 nan 8.280 nan 0.000 0.481 29 S N -1.090 114.299 115.700 -0.518 0.000 2.593 29 S HA 0.018 4.496 4.470 0.013 0.000 0.217 29 S C 1.313 175.799 174.600 -0.191 0.000 0.966 29 S CA 0.119 58.090 58.200 -0.382 0.000 0.914 29 S CB -0.215 62.954 63.200 -0.052 0.000 0.776 29 S HN 0.601 nan 8.310 nan 0.000 0.523 30 H N -0.134 118.693 119.070 -0.405 0.000 2.545 30 H HA 0.017 4.581 4.556 0.013 0.000 0.282 30 H C 2.057 177.257 175.328 -0.213 0.000 1.020 30 H CA 0.432 56.147 56.048 -0.554 0.000 1.243 30 H CB 0.171 29.627 29.762 -0.510 0.000 1.377 30 H HN 0.408 nan 8.280 nan 0.000 0.581 31 G N 0.058 108.843 108.800 -0.024 0.000 3.042 31 G HA2 -0.051 3.917 3.960 0.013 0.000 0.212 31 G HA3 -0.051 3.917 3.960 0.013 0.000 0.212 31 G C 1.393 176.304 174.900 0.019 0.000 1.166 31 G CA -0.135 44.971 45.100 0.010 0.000 0.767 31 G HN 0.183 nan 8.290 nan 0.000 0.546 32 L N -0.073 121.147 121.223 -0.005 0.000 1.976 32 L HA 0.134 4.482 4.340 0.013 0.000 0.209 32 L C 2.388 179.177 176.870 -0.134 0.000 1.071 32 L CA 1.814 56.565 54.840 -0.148 0.000 0.746 32 L CB -0.513 41.333 42.059 -0.356 0.000 0.890 32 L HN 0.204 nan 8.230 nan 0.000 0.432 33 F N -0.081 119.953 119.950 0.141 0.000 2.234 33 F HA -0.122 4.413 4.527 0.013 0.000 0.299 33 F C 2.367 178.204 175.800 0.062 0.000 1.087 33 F CA 1.071 59.105 58.000 0.058 0.000 1.340 33 F CB -0.793 38.210 39.000 0.005 0.000 1.031 33 F HN 0.041 nan 8.300 nan 0.000 0.500 34 K N 0.631 121.166 120.400 0.225 0.000 2.032 34 K HA -0.196 4.132 4.320 0.013 0.000 0.209 34 K C 2.015 178.676 176.600 0.102 0.000 1.048 34 K CA 1.628 58.000 56.287 0.141 0.000 0.927 34 K CB -0.209 32.356 32.500 0.108 0.000 0.712 34 K HN 0.211 nan 8.250 nan 0.000 0.441 35 K N 0.429 120.875 120.400 0.077 0.000 2.063 35 K HA -0.145 4.184 4.320 0.013 0.000 0.208 35 K C 1.855 178.502 176.600 0.078 0.000 1.048 35 K CA 1.131 57.452 56.287 0.056 0.000 0.928 35 K CB -0.137 32.382 32.500 0.032 0.000 0.713 35 K HN -0.015 nan 8.250 nan 0.000 0.442 36 L N -0.027 121.261 121.223 0.108 0.000 2.465 36 L HA 0.038 4.386 4.340 0.013 0.000 0.224 36 L C 1.141 178.092 176.870 0.136 0.000 1.145 36 L CA 1.249 56.175 54.840 0.144 0.000 0.834 36 L CB -0.595 41.575 42.059 0.185 0.000 0.944 36 L HN 0.499 nan 8.230 nan 0.000 0.451 37 G N 0.007 108.881 108.800 0.124 0.000 2.176 37 G HA2 -0.296 3.672 3.960 0.013 0.000 0.252 37 G HA3 -0.296 3.672 3.960 0.013 0.000 0.252 37 G C 0.243 175.207 174.900 0.108 0.000 1.024 37 G CA 0.209 45.371 45.100 0.104 0.000 0.755 37 G HN 0.306 nan 8.290 nan 0.000 0.507 38 I N 2.199 122.852 120.570 0.138 0.000 2.354 38 I HA 0.343 4.521 4.170 0.013 0.000 0.292 38 I C -1.363 174.771 176.117 0.030 0.000 0.989 38 I CA -2.508 58.847 61.300 0.091 0.000 1.188 38 I CB 1.719 39.781 38.000 0.103 0.000 1.342 38 I HN -0.057 nan 8.210 nan 0.000 0.457 39 P HA 0.369 nan 4.420 nan 0.000 0.272 39 P C -0.236 176.823 177.300 -0.402 0.000 1.240 39 P CA 0.006 63.027 63.100 -0.131 0.000 0.791 39 P CB 1.129 32.811 31.700 -0.029 0.000 0.978 40 G N 0.419 108.850 108.800 -0.614 0.000 2.340 40 G HA2 0.374 4.343 3.960 0.013 0.000 0.298 40 G HA3 0.374 4.343 3.960 0.013 0.000 0.298 40 G C -3.323 171.415 174.900 -0.270 0.000 1.498 40 G CA -0.869 43.838 45.100 -0.655 0.000 0.847 40 G HN 0.444 nan 8.290 nan 0.000 0.594 41 P HA 0.321 nan 4.420 nan 0.000 0.271 41 P C 0.083 177.472 177.300 0.148 0.000 1.216 41 P CA 0.130 63.325 63.100 0.158 0.000 0.776 41 P CB 0.829 32.680 31.700 0.252 0.000 0.881 42 T N 5.772 120.395 114.554 0.113 0.000 2.799 42 T HA 0.210 4.568 4.350 0.013 0.000 0.296 42 T C -1.833 172.886 174.700 0.032 0.000 0.947 42 T CA -0.525 61.618 62.100 0.072 0.000 1.141 42 T CB -0.335 68.565 68.868 0.052 0.000 0.891 42 T HN 0.411 nan 8.240 nan 0.000 0.533 43 P HA 0.273 nan 4.420 nan 0.000 0.278 43 P C -0.658 176.559 177.300 -0.138 0.000 1.238 43 P CA -0.778 62.221 63.100 -0.168 0.000 0.794 43 P CB 0.650 31.966 31.700 -0.639 0.000 0.955 44 L N 5.134 126.333 121.223 -0.039 0.000 2.417 44 L HA 0.336 4.684 4.340 0.013 0.000 0.268 44 L C -1.929 175.005 176.870 0.107 0.000 1.158 44 L CA -1.898 52.963 54.840 0.036 0.000 0.819 44 L CB -0.952 41.141 42.059 0.057 0.000 1.112 44 L HN 0.280 nan 8.230 nan 0.000 0.458 45 P HA 0.025 nan 4.420 nan 0.000 0.261 45 P C 0.067 177.555 177.300 0.314 0.000 1.173 45 P CA 0.442 63.645 63.100 0.173 0.000 0.760 45 P CB 0.169 31.988 31.700 0.198 0.000 0.783 46 F N -0.541 119.485 119.950 0.126 0.000 2.559 46 F HA -0.344 4.191 4.527 0.014 0.000 0.681 46 F C 1.778 177.603 175.800 0.042 0.000 0.488 46 F CA 1.377 59.419 58.000 0.070 0.000 0.759 46 F CB -1.895 37.147 39.000 0.070 0.000 1.634 46 F HN 0.238 nan 8.300 nan 0.000 0.264 47 L N -0.094 121.276 121.223 0.245 0.000 2.291 47 L HA 0.121 4.469 4.340 0.013 0.000 0.214 47 L C 2.153 179.087 176.870 0.106 0.000 1.120 47 L CA 1.129 56.037 54.840 0.114 0.000 0.799 47 L CB -1.135 40.969 42.059 0.076 0.000 0.925 47 L HN 0.731 nan 8.230 nan 0.000 0.446 48 G N 1.016 109.908 108.800 0.153 0.000 2.677 48 G HA2 -0.443 3.525 3.960 0.013 0.000 0.321 48 G HA3 -0.443 3.525 3.960 0.013 0.000 0.321 48 G C 0.509 175.439 174.900 0.050 0.000 1.181 48 G CA 0.860 46.035 45.100 0.125 0.000 0.965 48 G HN 0.476 nan 8.290 nan 0.000 0.548 49 N N 0.721 119.444 118.700 0.037 0.000 2.160 49 N HA 0.337 5.085 4.740 0.013 0.000 0.226 49 N C 1.855 177.110 175.510 -0.426 0.000 1.256 49 N CA 0.503 53.485 53.050 -0.112 0.000 0.890 49 N CB 0.459 38.947 38.487 0.000 0.000 1.116 49 N HN 0.715 nan 8.380 nan 0.000 0.517 50 I N -1.652 118.709 120.570 -0.348 0.000 2.657 50 I HA -0.170 4.008 4.170 0.013 0.000 0.261 50 I C 1.225 177.154 176.117 -0.314 0.000 1.212 50 I CA 1.263 62.276 61.300 -0.478 0.000 1.453 50 I CB -0.162 37.797 38.000 -0.068 0.000 1.092 50 I HN 0.115 nan 8.210 nan 0.000 0.452 51 L N 0.557 121.660 121.223 -0.200 0.000 2.313 51 L HA -0.023 4.325 4.340 0.013 0.000 0.214 51 L C 2.372 179.242 176.870 -0.001 0.000 1.119 51 L CA 0.705 55.500 54.840 -0.075 0.000 0.809 51 L CB -0.384 41.645 42.059 -0.049 0.000 0.933 51 L HN 0.266 nan 8.230 nan 0.000 0.449 52 S N -0.967 114.617 115.700 -0.194 0.000 2.547 52 S HA -0.091 4.387 4.470 0.013 0.000 0.235 52 S C 1.334 175.733 174.600 -0.335 0.000 0.980 52 S CA 0.406 58.489 58.200 -0.194 0.000 0.941 52 S CB -0.243 62.749 63.200 -0.346 0.000 0.763 52 S HN 0.345 nan 8.310 nan 0.000 0.532 53 Y N 2.163 122.241 120.300 -0.369 0.000 2.578 53 Y HA 0.009 4.566 4.550 0.013 0.000 0.297 53 Y C 2.200 177.912 175.900 -0.313 0.000 1.176 53 Y CA -0.533 57.320 58.100 -0.411 0.000 1.315 53 Y CB -1.116 37.144 38.460 -0.333 0.000 1.031 53 Y HN 0.566 nan 8.280 nan 0.000 0.524 54 H N -1.697 117.333 119.070 -0.067 0.000 2.518 54 H HA -0.036 4.528 4.556 0.013 0.000 0.289 54 H C 1.194 176.474 175.328 -0.080 0.000 1.051 54 H CA 1.115 57.119 56.048 -0.073 0.000 1.280 54 H CB 0.190 29.921 29.762 -0.053 0.000 1.380 54 H HN 0.044 nan 8.280 nan 0.000 0.566 55 K N 0.815 120.929 120.400 -0.477 0.000 2.387 55 K HA 0.231 4.559 4.320 0.013 0.000 0.198 55 K C 0.240 176.705 176.600 -0.226 0.000 1.022 55 K CA 0.555 56.655 56.287 -0.313 0.000 1.128 55 K CB 0.405 32.702 32.500 -0.339 0.000 0.853 55 K HN 0.685 nan 8.250 nan 0.000 0.523 56 G N -0.365 108.263 108.800 -0.286 0.000 2.781 56 G HA2 -0.261 3.707 3.960 0.013 0.000 0.683 56 G HA3 -0.261 3.707 3.960 0.013 0.000 0.683 56 G C 0.269 174.981 174.900 -0.313 0.000 1.390 56 G CA -0.438 44.422 45.100 -0.399 0.000 0.850 56 G HN 0.042 nan 8.290 nan 0.000 0.557 57 F N 0.074 119.919 119.950 -0.174 0.000 2.259 57 F HA 0.041 4.577 4.527 0.015 0.000 0.298 57 F C 3.099 178.866 175.800 -0.054 0.000 1.088 57 F CA 1.507 59.444 58.000 -0.106 0.000 1.358 57 F CB -0.977 37.907 39.000 -0.193 0.000 1.040 57 F HN 0.539 nan 8.300 nan 0.000 0.505 58 C N -0.207 119.049 119.300 -0.073 0.000 2.453 58 C HA -0.187 4.281 4.460 0.013 0.000 0.277 58 C C 2.882 177.798 174.990 -0.124 0.000 1.262 58 C CA 0.732 59.548 59.018 -0.337 0.000 1.718 58 C CB -0.884 26.251 27.740 -1.009 0.000 2.031 58 C HN 0.359 nan 8.230 nan 0.000 0.480 59 M N 0.113 119.657 119.600 -0.093 0.000 2.086 59 M HA -0.075 4.413 4.480 0.013 0.000 0.261 59 M C 2.026 178.358 176.300 0.053 0.000 1.067 59 M CA 1.498 56.787 55.300 -0.018 0.000 1.116 59 M CB -1.863 30.704 32.600 -0.054 0.000 1.348 59 M HN 0.416 nan 8.290 nan 0.000 0.407 60 F N 2.218 122.131 119.950 -0.063 0.000 2.043 60 F HA -0.282 4.253 4.527 0.013 0.000 0.297 60 F C 1.912 177.722 175.800 0.017 0.000 1.118 60 F CA 2.101 60.087 58.000 -0.023 0.000 1.202 60 F CB -0.658 38.377 39.000 0.060 0.000 0.965 60 F HN 0.207 nan 8.300 nan 0.000 0.482 61 D N -0.304 120.066 120.400 -0.050 0.000 2.144 61 D HA -0.181 4.467 4.640 0.013 0.000 0.199 61 D C 2.445 178.737 176.300 -0.012 0.000 0.984 61 D CA 1.159 55.151 54.000 -0.012 0.000 0.834 61 D CB -0.288 40.621 40.800 0.182 0.000 0.955 61 D HN 0.263 nan 8.370 nan 0.000 0.465 62 M N 0.385 120.005 119.600 0.033 0.000 2.132 62 M HA -0.088 4.400 4.480 0.013 0.000 0.263 62 M C 1.913 178.162 176.300 -0.085 0.000 1.065 62 M CA 1.262 56.594 55.300 0.054 0.000 1.122 62 M CB -0.568 32.098 32.600 0.109 0.000 1.365 62 M HN 0.104 nan 8.290 nan 0.000 0.411 63 E N -0.721 119.380 120.200 -0.165 0.000 2.028 63 E HA -0.150 4.208 4.350 0.013 0.000 0.190 63 E C 2.182 178.526 176.600 -0.427 0.000 0.984 63 E CA 1.218 57.478 56.400 -0.234 0.000 0.800 63 E CB -0.055 29.551 29.700 -0.157 0.000 0.758 63 E HN 0.455 nan 8.360 nan 0.000 0.448 64 C N 0.627 119.572 119.300 -0.592 0.000 2.376 64 C HA -0.193 4.275 4.460 0.013 0.000 0.275 64 C C 2.653 176.990 174.990 -1.088 0.000 1.200 64 C CA 1.315 59.782 59.018 -0.918 0.000 1.756 64 C CB -1.186 25.679 27.740 -1.457 0.000 2.050 64 C HN 0.528 nan 8.230 nan 0.000 0.460 65 H N 1.074 119.459 119.070 -1.141 0.000 2.319 65 H HA -0.139 4.425 4.556 0.014 0.000 0.297 65 H C 2.228 177.331 175.328 -0.375 0.000 1.097 65 H CA 2.229 57.845 56.048 -0.719 0.000 1.285 65 H CB -0.351 29.294 29.762 -0.195 0.000 1.368 65 H HN 0.418 nan 8.280 nan 0.000 0.495 66 K N 0.187 120.352 120.400 -0.392 0.000 2.057 66 K HA -0.123 4.205 4.320 0.013 0.000 0.207 66 K C 2.164 178.532 176.600 -0.388 0.000 1.049 66 K CA 1.457 57.528 56.287 -0.359 0.000 0.931 66 K CB 0.074 32.427 32.500 -0.246 0.000 0.714 66 K HN 0.264 nan 8.250 nan 0.000 0.440 67 K N -0.902 119.176 120.400 -0.536 0.000 2.062 67 K HA -0.121 4.208 4.320 0.013 0.000 0.205 67 K C 1.709 177.894 176.600 -0.691 0.000 1.051 67 K CA 1.390 57.243 56.287 -0.723 0.000 0.941 67 K CB 0.050 31.839 32.500 -1.185 0.000 0.719 67 K HN 0.177 nan 8.250 nan 0.000 0.440 68 Y N -0.995 119.149 120.300 -0.261 0.000 2.498 68 Y HA 0.222 4.780 4.550 0.014 0.000 0.259 68 Y C 1.335 177.218 175.900 -0.028 0.000 1.086 68 Y CA 0.281 58.303 58.100 -0.131 0.000 1.287 68 Y CB 0.816 39.201 38.460 -0.125 0.000 1.146 68 Y HN 0.235 nan 8.280 nan 0.000 0.523 69 G N 1.124 109.958 108.800 0.056 0.000 2.601 69 G HA2 -0.360 3.608 3.960 0.013 0.000 0.224 69 G HA3 -0.360 3.608 3.960 0.013 0.000 0.224 69 G C 0.880 175.997 174.900 0.361 0.000 1.171 69 G CA 0.139 45.299 45.100 0.100 0.000 1.009 69 G HN 0.298 nan 8.290 nan 0.000 0.589 70 K N -0.216 120.371 120.400 0.312 0.000 2.228 70 K HA 0.538 4.866 4.320 0.013 0.000 0.202 70 K C 0.837 177.627 176.600 0.317 0.000 1.051 70 K CA 1.556 58.043 56.287 0.334 0.000 0.960 70 K CB 0.382 32.999 32.500 0.196 0.000 0.743 70 K HN 1.471 nan 8.250 nan 0.000 0.458 71 V N 0.913 121.020 119.914 0.321 0.000 2.888 71 V HA 0.697 4.825 4.120 0.013 0.000 0.309 71 V C -2.198 174.075 176.094 0.297 0.000 1.114 71 V CA -0.616 61.771 62.300 0.145 0.000 0.940 71 V CB 1.422 33.261 31.823 0.028 0.000 1.021 71 V HN 0.550 nan 8.190 nan 0.000 0.426 72 W N 3.865 125.094 121.300 -0.118 0.000 3.066 72 W HA 0.900 5.570 4.660 0.016 0.000 0.330 72 W C -0.684 175.544 176.519 -0.485 0.000 1.253 72 W CA -0.513 56.672 57.345 -0.266 0.000 1.187 72 W CB 1.049 30.394 29.460 -0.193 0.000 1.434 72 W HN 0.925 nan 8.180 nan 0.000 0.572 73 G N 1.119 109.533 108.800 -0.643 0.000 2.571 73 G HA2 0.847 4.815 3.960 0.013 0.000 0.304 73 G HA3 0.847 4.815 3.960 0.013 0.000 0.304 73 G C -1.923 172.537 174.900 -0.732 0.000 1.314 73 G CA -0.886 43.273 45.100 -1.568 0.000 0.975 73 G HN 1.188 nan 8.290 nan 0.000 0.485 74 F N -0.905 118.710 119.950 -0.558 0.000 2.745 74 F HA 0.777 5.314 4.527 0.015 0.000 0.316 74 F C -2.226 173.491 175.800 -0.138 0.000 1.155 74 F CA -2.213 55.721 58.000 -0.111 0.000 0.937 74 F CB 1.316 40.451 39.000 0.225 0.000 1.361 74 F HN 0.405 nan 8.300 nan 0.000 0.472 75 Y N 0.199 120.747 120.300 0.414 0.000 2.350 75 Y HA 0.416 4.974 4.550 0.013 0.000 0.338 75 Y C -0.971 175.099 175.900 0.284 0.000 0.961 75 Y CA -0.787 57.477 58.100 0.274 0.000 1.100 75 Y CB 1.612 40.209 38.460 0.229 0.000 1.179 75 Y HN 0.551 nan 8.280 nan 0.000 0.454 76 D N 2.855 123.469 120.400 0.358 0.000 2.453 76 D HA 0.388 5.036 4.640 0.013 0.000 0.223 76 D C 0.903 177.347 176.300 0.239 0.000 1.183 76 D CA 1.308 55.492 54.000 0.307 0.000 0.933 76 D CB 0.399 41.376 40.800 0.296 0.000 1.038 76 D HN 0.841 nan 8.370 nan 0.000 0.513 77 G N 3.107 112.030 108.800 0.204 0.000 3.099 77 G HA2 -0.403 3.565 3.960 0.013 0.000 0.331 77 G HA3 -0.403 3.565 3.960 0.013 0.000 0.331 77 G C 0.786 175.843 174.900 0.261 0.000 1.216 77 G CA 0.272 45.469 45.100 0.163 0.000 0.977 77 G HN 0.544 nan 8.290 nan 0.000 0.600 78 Q N 0.030 119.955 119.800 0.208 0.000 2.139 78 Q HA 0.296 4.644 4.340 0.013 0.000 0.219 78 Q C 0.528 176.688 176.000 0.266 0.000 0.805 78 Q CA -0.013 55.913 55.803 0.205 0.000 1.024 78 Q CB 1.225 29.974 28.738 0.020 0.000 1.163 78 Q HN 0.510 nan 8.270 nan 0.000 0.485 79 Q N 2.796 122.744 119.800 0.246 0.000 2.307 79 Q HA 0.195 4.543 4.340 0.013 0.000 0.259 79 Q C -2.545 173.550 176.000 0.158 0.000 0.998 79 Q CA -2.147 53.761 55.803 0.174 0.000 0.923 79 Q CB 0.847 29.656 28.738 0.117 0.000 1.196 79 Q HN -0.089 nan 8.270 nan 0.000 0.416 80 P HA 0.069 nan 4.420 nan 0.000 0.276 80 P C -1.169 176.049 177.300 -0.137 0.000 1.235 80 P CA -0.150 62.859 63.100 -0.151 0.000 0.772 80 P CB 0.928 32.432 31.700 -0.327 0.000 0.871 81 V N 5.159 124.872 119.914 -0.335 0.000 2.407 81 V HA 0.276 4.404 4.120 0.013 0.000 0.291 81 V C -0.037 175.644 176.094 -0.689 0.000 1.018 81 V CA -0.642 61.316 62.300 -0.569 0.000 0.842 81 V CB 1.773 33.035 31.823 -0.936 0.000 0.996 81 V HN 0.483 nan 8.190 nan 0.000 0.426 82 L N 5.297 126.276 121.223 -0.407 0.000 2.262 82 L HA 0.759 5.107 4.340 0.013 0.000 0.288 82 L C 0.312 176.866 176.870 -0.527 0.000 1.035 82 L CA -0.207 54.364 54.840 -0.449 0.000 0.820 82 L CB 1.204 43.171 42.059 -0.154 0.000 1.204 82 L HN 0.769 nan 8.230 nan 0.000 0.424 83 A N 7.067 129.411 122.820 -0.793 0.000 2.328 83 A HA 0.610 4.938 4.320 0.013 0.000 0.284 83 A C -0.250 176.862 177.584 -0.788 0.000 1.160 83 A CA -0.573 50.901 52.037 -0.938 0.000 0.818 83 A CB 0.466 18.383 19.000 -1.804 0.000 1.087 83 A HN 0.790 nan 8.150 nan 0.000 0.504 84 I N -0.909 119.343 120.570 -0.530 0.000 2.740 84 I HA 0.749 4.927 4.170 0.013 0.000 0.303 84 I C -0.042 175.930 176.117 -0.242 0.000 1.044 84 I CA -0.604 60.496 61.300 -0.332 0.000 1.064 84 I CB 2.510 40.356 38.000 -0.257 0.000 1.249 84 I HN 0.348 nan 8.210 nan 0.000 0.433 85 T N 1.365 115.853 114.554 -0.111 0.000 3.009 85 T HA 0.136 4.495 4.350 0.013 0.000 0.267 85 T C -0.177 174.537 174.700 0.024 0.000 0.942 85 T CA 0.144 62.225 62.100 -0.031 0.000 0.883 85 T CB -0.098 68.828 68.868 0.097 0.000 1.192 85 T HN 0.797 nan 8.240 nan 0.000 0.524 86 D N 1.928 122.334 120.400 0.009 0.000 2.312 86 D HA 0.244 4.892 4.640 0.013 0.000 0.252 86 D C -1.686 174.596 176.300 -0.031 0.000 1.150 86 D CA -2.136 51.880 54.000 0.025 0.000 0.870 86 D CB 1.757 42.566 40.800 0.015 0.000 1.153 86 D HN -0.068 nan 8.370 nan 0.000 0.457 87 P HA -0.137 nan 4.420 nan 0.000 0.216 87 P C 0.535 177.739 177.300 -0.159 0.000 1.153 87 P CA 1.004 64.078 63.100 -0.044 0.000 0.858 87 P CB 0.219 31.927 31.700 0.013 0.000 0.789 88 D N -1.429 118.895 120.400 -0.128 0.000 2.178 88 D HA -0.090 4.558 4.640 0.013 0.000 0.202 88 D C 1.933 178.119 176.300 -0.190 0.000 0.974 88 D CA 1.101 54.996 54.000 -0.175 0.000 0.841 88 D CB -0.336 40.407 40.800 -0.096 0.000 0.953 88 D HN 0.233 nan 8.370 nan 0.000 0.478 89 M N 0.272 119.782 119.600 -0.149 0.000 2.099 89 M HA -0.085 4.403 4.480 0.013 0.000 0.262 89 M C 2.429 178.591 176.300 -0.230 0.000 1.067 89 M CA 0.991 56.192 55.300 -0.165 0.000 1.124 89 M CB -0.199 32.320 32.600 -0.135 0.000 1.353 89 M HN -0.041 nan 8.290 nan 0.000 0.410 90 I N 0.307 120.748 120.570 -0.215 0.000 2.194 90 I HA -0.358 3.820 4.170 0.013 0.000 0.246 90 I C 2.537 178.492 176.117 -0.270 0.000 1.093 90 I CA 1.487 62.666 61.300 -0.201 0.000 1.355 90 I CB -0.490 37.459 38.000 -0.085 0.000 1.046 90 I HN 0.314 nan 8.210 nan 0.000 0.413 91 K N 0.658 120.739 120.400 -0.532 0.000 2.057 91 K HA -0.179 4.149 4.320 0.013 0.000 0.207 91 K C 2.036 178.434 176.600 -0.336 0.000 1.049 91 K CA 2.034 57.871 56.287 -0.750 0.000 0.931 91 K CB -0.123 31.687 32.500 -1.150 0.000 0.714 91 K HN 0.240 nan 8.250 nan 0.000 0.440 92 T N 0.745 115.139 114.554 -0.266 0.000 2.720 92 T HA -0.154 4.204 4.350 0.013 0.000 0.268 92 T C 1.840 176.450 174.700 -0.149 0.000 1.037 92 T CA 1.651 63.656 62.100 -0.159 0.000 1.144 92 T CB -0.317 68.481 68.868 -0.118 0.000 0.864 92 T HN 0.329 nan 8.240 nan 0.000 0.444 93 V N -0.333 119.394 119.914 -0.312 0.000 2.649 93 V HA 0.086 4.214 4.120 0.013 0.000 0.248 93 V C 2.119 178.060 176.094 -0.255 0.000 1.054 93 V CA 0.937 62.917 62.300 -0.533 0.000 1.073 93 V CB -0.658 30.429 31.823 -1.227 0.000 0.699 93 V HN 0.198 nan 8.190 nan 0.000 0.463 94 L N -0.029 121.083 121.223 -0.184 0.000 2.072 94 L HA 0.097 4.445 4.340 0.013 0.000 0.205 94 L C 2.360 179.203 176.870 -0.045 0.000 1.079 94 L CA 2.032 56.823 54.840 -0.082 0.000 0.752 94 L CB -0.586 41.473 42.059 0.000 0.000 0.906 94 L HN 0.313 nan 8.230 nan 0.000 0.436 95 V N -1.836 118.056 119.914 -0.037 0.000 2.735 95 V HA -0.004 4.124 4.120 0.013 0.000 0.234 95 V C 2.198 178.266 176.094 -0.044 0.000 1.121 95 V CA 0.392 62.679 62.300 -0.021 0.000 1.160 95 V CB -0.345 31.509 31.823 0.052 0.000 0.908 95 V HN 0.190 nan 8.190 nan 0.000 0.495 96 K N 0.633 121.014 120.400 -0.033 0.000 1.991 96 K HA -0.135 4.193 4.320 0.013 0.000 0.212 96 K C 1.483 178.103 176.600 0.033 0.000 1.049 96 K CA 1.609 57.896 56.287 0.000 0.000 0.932 96 K CB -0.104 32.392 32.500 -0.006 0.000 0.717 96 K HN 0.353 nan 8.250 nan 0.000 0.441 97 E N 0.334 120.582 120.200 0.081 0.000 2.496 97 E HA 0.011 4.369 4.350 0.013 0.000 0.200 97 E C 1.240 177.937 176.600 0.162 0.000 1.016 97 E CA -0.087 56.404 56.400 0.151 0.000 0.962 97 E CB -0.085 29.761 29.700 0.244 0.000 1.071 97 E HN 0.271 nan 8.360 nan 0.000 0.457 98 C N 0.363 119.685 119.300 0.038 0.000 2.396 98 C HA -0.255 4.213 4.460 0.013 0.000 0.281 98 C C 2.195 177.187 174.990 0.003 0.000 1.208 98 C CA 1.111 60.104 59.018 -0.040 0.000 1.754 98 C CB -0.933 26.667 27.740 -0.234 0.000 2.044 98 C HN 0.449 nan 8.230 nan 0.000 0.449 99 Y N 2.370 122.749 120.300 0.132 0.000 2.151 99 Y HA -0.169 4.385 4.550 0.007 0.000 0.284 99 Y C 3.067 179.009 175.900 0.069 0.000 1.166 99 Y CA 1.994 60.176 58.100 0.137 0.000 1.163 99 Y CB -1.211 37.330 38.460 0.134 0.000 0.974 99 Y HN 0.616 nan 8.280 nan 0.000 0.511 100 S N -1.411 114.398 115.700 0.183 0.000 2.371 100 S HA -0.041 4.437 4.470 0.013 0.000 0.221 100 S C 1.936 176.513 174.600 -0.038 0.000 1.036 100 S CA 1.052 59.297 58.200 0.075 0.000 0.965 100 S CB -0.504 62.730 63.200 0.058 0.000 0.845 100 S HN 0.313 nan 8.310 nan 0.000 0.475 101 V N -1.649 118.187 119.914 -0.131 0.000 3.350 101 V HA 0.502 4.630 4.120 0.013 0.000 0.246 101 V C -0.634 175.119 176.094 -0.568 0.000 1.363 101 V CA -0.227 61.826 62.300 -0.411 0.000 1.162 101 V CB 0.292 31.753 31.823 -0.603 0.000 0.947 101 V HN 0.345 nan 8.190 nan 0.000 0.454 102 F N 1.716 121.629 119.950 -0.061 0.000 2.664 102 F HA 0.516 5.054 4.527 0.019 0.000 0.322 102 F C 1.360 177.076 175.800 -0.141 0.000 1.324 102 F CA 0.127 58.067 58.000 -0.101 0.000 1.154 102 F CB 0.618 39.552 39.000 -0.110 0.000 1.236 102 F HN 0.004 nan 8.300 nan 0.000 0.532 103 T N -1.607 112.926 114.554 -0.034 0.000 2.983 103 T HA 0.080 4.438 4.350 0.013 0.000 0.250 103 T C 0.879 175.404 174.700 -0.292 0.000 1.037 103 T CA 0.548 62.556 62.100 -0.153 0.000 1.142 103 T CB 0.060 68.904 68.868 -0.041 0.000 0.876 103 T HN 0.090 nan 8.240 nan 0.000 0.455 104 N N 1.173 119.772 118.700 -0.168 0.000 2.483 104 N HA 0.480 5.228 4.740 0.013 0.000 0.285 104 N C -0.180 175.262 175.510 -0.113 0.000 1.210 104 N CA -0.586 52.363 53.050 -0.169 0.000 0.931 104 N CB 1.391 39.828 38.487 -0.084 0.000 1.220 104 N HN 0.170 nan 8.380 nan 0.000 0.542 105 R N 0.138 120.584 120.500 -0.089 0.000 2.700 105 R HA 0.398 4.746 4.340 0.013 0.000 0.253 105 R C 0.243 176.543 176.300 -0.000 0.000 1.091 105 R CA -0.857 55.213 56.100 -0.050 0.000 1.104 105 R CB 1.074 31.345 30.300 -0.047 0.000 1.202 105 R HN 0.281 nan 8.270 nan 0.000 0.532 106 R N 2.408 122.915 120.500 0.011 0.000 2.523 106 R HA -0.001 4.348 4.340 0.013 0.000 0.281 106 R C -1.941 174.427 176.300 0.114 0.000 0.969 106 R CA -0.683 55.447 56.100 0.049 0.000 1.093 106 R CB -0.053 30.274 30.300 0.045 0.000 0.917 106 R HN 0.378 nan 8.270 nan 0.000 0.408 107 P HA 0.008 nan 4.420 nan 0.000 0.271 107 P C -0.885 176.553 177.300 0.229 0.000 1.220 107 P CA 0.124 63.302 63.100 0.130 0.000 0.768 107 P CB 0.288 32.027 31.700 0.066 0.000 0.848 108 F N 1.518 121.507 119.950 0.065 0.000 2.507 108 F HA 0.840 5.375 4.527 0.012 0.000 0.325 108 F C -0.265 175.607 175.800 0.119 0.000 1.116 108 F CA -0.925 57.140 58.000 0.108 0.000 0.930 108 F CB 1.703 40.792 39.000 0.147 0.000 1.146 108 F HN 0.455 nan 8.300 nan 0.000 0.447 109 G N 2.213 110.942 108.800 -0.119 0.000 3.022 109 G HA2 0.718 4.686 3.960 0.013 0.000 0.284 109 G HA3 0.718 4.686 3.960 0.013 0.000 0.284 109 G C -3.299 171.591 174.900 -0.018 0.000 1.375 109 G CA -1.906 43.077 45.100 -0.195 0.000 0.902 109 G HN 0.563 nan 8.290 nan 0.000 0.538 110 P HA 0.333 nan 4.420 nan 0.000 0.281 110 P C 0.017 177.318 177.300 0.001 0.000 1.252 110 P CA -0.123 62.977 63.100 0.000 0.000 0.778 110 P CB 2.256 33.989 31.700 0.056 0.000 0.895 111 V N 2.398 122.281 119.914 -0.052 0.000 3.090 111 V HA 0.260 4.388 4.120 0.013 0.000 0.237 111 V C 1.456 177.499 176.094 -0.085 0.000 1.209 111 V CA 1.427 63.691 62.300 -0.060 0.000 1.209 111 V CB -0.497 31.164 31.823 -0.270 0.000 0.971 111 V HN 0.980 nan 8.190 nan 0.000 0.477 112 G N 1.479 110.239 108.800 -0.065 0.000 2.550 112 G HA2 -0.407 3.561 3.960 0.013 0.000 0.277 112 G HA3 -0.407 3.561 3.960 0.013 0.000 0.277 112 G C 0.617 175.470 174.900 -0.078 0.000 1.190 112 G CA 0.824 45.915 45.100 -0.016 0.000 0.971 112 G HN 0.861 nan 8.290 nan 0.000 0.559 113 F N -0.263 119.635 119.950 -0.086 0.000 2.307 113 F HA 0.163 4.698 4.527 0.013 0.000 0.301 113 F C 2.433 178.138 175.800 -0.158 0.000 1.076 113 F CA 2.132 60.073 58.000 -0.098 0.000 1.383 113 F CB -0.287 38.669 39.000 -0.073 0.000 1.055 113 F HN 0.172 nan 8.300 nan 0.000 0.526 114 M N 2.476 121.402 119.600 -1.123 0.000 2.748 114 M HA -0.090 4.398 4.480 0.013 0.000 0.241 114 M C 1.858 177.852 176.300 -0.511 0.000 1.080 114 M CA 0.719 55.406 55.300 -1.022 0.000 1.068 114 M CB -1.250 30.462 32.600 -1.479 0.000 1.536 114 M HN 0.490 nan 8.290 nan 0.000 0.540 115 K N -1.252 118.961 120.400 -0.312 0.000 2.360 115 K HA -0.064 4.264 4.320 0.013 0.000 0.201 115 K C 1.267 177.810 176.600 -0.095 0.000 1.046 115 K CA 1.394 57.585 56.287 -0.159 0.000 0.940 115 K CB -0.352 32.097 32.500 -0.084 0.000 0.748 115 K HN 0.158 nan 8.250 nan 0.000 0.465 116 S N 0.630 116.269 115.700 -0.103 0.000 2.517 116 S HA 0.221 4.699 4.470 0.013 0.000 0.214 116 S C 0.655 175.229 174.600 -0.043 0.000 0.991 116 S CA -0.082 58.096 58.200 -0.036 0.000 0.906 116 S CB 0.433 63.633 63.200 0.000 0.000 0.789 116 S HN 0.477 nan 8.310 nan 0.000 0.513 117 A N 1.832 124.584 122.820 -0.113 0.000 2.524 117 A HA 0.288 4.616 4.320 0.013 0.000 0.250 117 A C 1.226 178.820 177.584 0.017 0.000 1.078 117 A CA -0.161 51.817 52.037 -0.098 0.000 0.761 117 A CB -0.413 18.474 19.000 -0.189 0.000 1.012 117 A HN 0.475 nan 8.150 nan 0.000 0.500 118 I N 2.912 123.524 120.570 0.070 0.000 2.315 118 I HA -0.301 3.877 4.170 0.013 0.000 0.251 118 I C 2.425 178.699 176.117 0.262 0.000 1.125 118 I CA 2.237 63.662 61.300 0.207 0.000 1.392 118 I CB 0.086 38.209 38.000 0.206 0.000 1.065 118 I HN 0.860 nan 8.210 nan 0.000 0.424 119 S N 0.685 116.478 115.700 0.154 0.000 2.428 119 S HA -0.077 4.401 4.470 0.013 0.000 0.230 119 S C 1.780 176.446 174.600 0.110 0.000 1.014 119 S CA 0.846 59.121 58.200 0.125 0.000 0.957 119 S CB -0.298 62.969 63.200 0.112 0.000 0.784 119 S HN 0.474 nan 8.310 nan 0.000 0.499 120 I N 1.882 122.516 120.570 0.108 0.000 2.927 120 I HA 0.326 4.504 4.170 0.013 0.000 0.268 120 I C 1.600 177.759 176.117 0.071 0.000 1.153 120 I CA 0.111 61.471 61.300 0.099 0.000 1.459 120 I CB -2.103 35.910 38.000 0.022 0.000 1.149 120 I HN 0.307 nan 8.210 nan 0.000 0.443 121 A N 2.598 125.480 122.820 0.104 0.000 2.587 121 A HA 0.004 4.332 4.320 0.013 0.000 0.235 121 A C 0.414 178.100 177.584 0.170 0.000 1.044 121 A CA 0.465 52.591 52.037 0.149 0.000 0.754 121 A CB -0.216 18.917 19.000 0.222 0.000 0.968 121 A HN 0.427 nan 8.150 nan 0.000 0.509 122 E N 1.277 121.563 120.200 0.143 0.000 2.249 122 E HA 0.387 4.745 4.350 0.013 0.000 0.263 122 E C -0.413 176.307 176.600 0.200 0.000 0.950 122 E CA -0.837 55.634 56.400 0.118 0.000 0.827 122 E CB 0.939 30.673 29.700 0.057 0.000 1.220 122 E HN 0.775 nan 8.360 nan 0.000 0.411 123 D N 0.861 121.377 120.400 0.192 0.000 3.393 123 D HA -0.253 4.395 4.640 0.013 0.000 0.178 123 D C 1.002 177.470 176.300 0.279 0.000 1.201 123 D CA 1.551 55.675 54.000 0.208 0.000 1.086 123 D CB -0.421 40.447 40.800 0.115 0.000 0.568 123 D HN 0.572 nan 8.370 nan 0.000 0.637 124 E N 0.981 121.276 120.200 0.158 0.000 2.150 124 E HA -0.107 4.251 4.350 0.013 0.000 0.193 124 E C 1.816 178.459 176.600 0.071 0.000 0.985 124 E CA 1.252 57.711 56.400 0.098 0.000 0.814 124 E CB -0.016 29.712 29.700 0.046 0.000 0.752 124 E HN 0.314 nan 8.360 nan 0.000 0.466 125 E N -0.072 120.186 120.200 0.096 0.000 2.051 125 E HA -0.198 4.160 4.350 0.013 0.000 0.192 125 E C 1.856 178.512 176.600 0.092 0.000 0.991 125 E CA 0.923 57.367 56.400 0.073 0.000 0.799 125 E CB -0.698 29.047 29.700 0.076 0.000 0.748 125 E HN 0.440 nan 8.360 nan 0.000 0.449 126 W N 2.731 124.049 121.300 0.030 0.000 2.335 126 W HA -0.250 4.415 4.660 0.008 0.000 0.311 126 W C 2.289 178.842 176.519 0.055 0.000 1.213 126 W CA 2.105 59.476 57.345 0.043 0.000 1.274 126 W CB -0.216 29.276 29.460 0.054 0.000 1.148 126 W HN -0.041 nan 8.180 nan 0.000 0.498 127 K N 0.896 121.105 120.400 -0.319 0.000 2.057 127 K HA -0.210 4.118 4.320 0.013 0.000 0.207 127 K C 2.382 178.724 176.600 -0.429 0.000 1.049 127 K CA 2.105 58.012 56.287 -0.634 0.000 0.931 127 K CB -0.797 31.564 32.500 -0.232 0.000 0.714 127 K HN 0.239 nan 8.250 nan 0.000 0.440 128 R N 0.175 120.542 120.500 -0.223 0.000 2.097 128 R HA -0.162 4.186 4.340 0.013 0.000 0.236 128 R C 2.213 178.417 176.300 -0.159 0.000 1.135 128 R CA 2.046 58.057 56.100 -0.148 0.000 0.934 128 R CB -0.598 29.657 30.300 -0.075 0.000 0.846 128 R HN 0.206 nan 8.270 nan 0.000 0.431 129 L N 0.371 121.498 121.223 -0.159 0.000 2.079 129 L HA -0.172 4.176 4.340 0.013 0.000 0.210 129 L C 2.886 179.667 176.870 -0.147 0.000 1.081 129 L CA 1.752 56.524 54.840 -0.112 0.000 0.752 129 L CB -0.375 41.652 42.059 -0.054 0.000 0.896 129 L HN 0.208 nan 8.230 nan 0.000 0.433 130 R N -0.741 119.551 120.500 -0.346 0.000 2.090 130 R HA -0.082 4.266 4.340 0.013 0.000 0.228 130 R C 2.446 178.644 176.300 -0.172 0.000 1.110 130 R CA 1.462 57.381 56.100 -0.301 0.000 0.973 130 R CB -0.459 29.464 30.300 -0.627 0.000 0.869 130 R HN 0.098 nan 8.270 nan 0.000 0.440 131 S N -0.578 115.001 115.700 -0.201 0.000 2.423 131 S HA -0.003 4.475 4.470 0.013 0.000 0.231 131 S C 0.968 175.538 174.600 -0.049 0.000 1.014 131 S CA 0.814 58.946 58.200 -0.113 0.000 0.965 131 S CB -0.025 63.098 63.200 -0.129 0.000 0.785 131 S HN 0.226 nan 8.310 nan 0.000 0.495 132 L N 0.386 121.584 121.223 -0.041 0.000 2.640 132 L HA 0.430 4.778 4.340 0.013 0.000 0.230 132 L C 1.092 177.989 176.870 0.045 0.000 1.123 132 L CA 0.668 55.507 54.840 -0.002 0.000 0.900 132 L CB 0.102 42.155 42.059 -0.010 0.000 1.146 132 L HN 0.262 nan 8.230 nan 0.000 0.484 133 L N -2.678 118.588 121.223 0.072 0.000 2.749 133 L HA 0.128 4.476 4.340 0.013 0.000 0.242 133 L C 2.087 179.099 176.870 0.238 0.000 1.103 133 L CA 0.124 55.073 54.840 0.181 0.000 0.906 133 L CB 0.310 42.520 42.059 0.253 0.000 1.228 133 L HN 0.044 nan 8.230 nan 0.000 0.517 134 S N 1.144 116.926 115.700 0.137 0.000 2.372 134 S HA -0.157 4.321 4.470 0.013 0.000 0.227 134 S C -0.706 173.978 174.600 0.140 0.000 1.044 134 S CA 1.660 59.940 58.200 0.134 0.000 1.050 134 S CB -1.200 62.040 63.200 0.067 0.000 0.901 134 S HN 0.256 nan 8.310 nan 0.000 0.447 135 P HA -0.130 nan 4.420 nan 0.000 0.214 135 P C 1.547 178.871 177.300 0.040 0.000 1.172 135 P CA 1.572 64.704 63.100 0.055 0.000 0.925 135 P CB -0.472 31.248 31.700 0.033 0.000 0.793 136 T N -1.853 112.713 114.554 0.021 0.000 2.802 136 T HA -0.158 4.200 4.350 0.013 0.000 0.269 136 T C 0.920 175.439 174.700 -0.302 0.000 1.062 136 T CA 1.297 63.308 62.100 -0.148 0.000 1.133 136 T CB -0.778 67.956 68.868 -0.223 0.000 0.852 136 T HN 0.081 nan 8.240 nan 0.000 0.485 137 F N 0.921 120.898 119.950 0.046 0.000 2.661 137 F HA 0.228 4.763 4.527 0.014 0.000 0.306 137 F C 1.485 177.316 175.800 0.051 0.000 1.094 137 F CA -0.756 57.271 58.000 0.044 0.000 1.254 137 F CB -0.237 38.744 39.000 -0.032 0.000 1.040 137 F HN 0.015 nan 8.300 nan 0.000 0.562 138 T N -2.087 112.559 114.554 0.154 0.000 2.734 138 T HA 0.116 4.474 4.350 0.013 0.000 0.314 138 T C 0.604 175.360 174.700 0.095 0.000 1.057 138 T CA -0.578 61.587 62.100 0.108 0.000 1.047 138 T CB 1.239 70.144 68.868 0.062 0.000 0.991 138 T HN 0.070 nan 8.240 nan 0.000 0.540 139 S N -0.015 115.738 115.700 0.088 0.000 2.545 139 S HA 0.541 5.019 4.470 0.013 0.000 0.275 139 S C 1.337 175.939 174.600 0.002 0.000 1.299 139 S CA 0.493 58.744 58.200 0.084 0.000 1.048 139 S CB -0.305 62.977 63.200 0.137 0.000 0.938 139 S HN 1.709 nan 8.310 nan 0.000 0.496 140 G N 5.015 113.756 108.800 -0.099 0.000 2.604 140 G HA2 -0.219 3.749 3.960 0.013 0.000 0.205 140 G HA3 -0.219 3.749 3.960 0.013 0.000 0.205 140 G C 0.910 175.727 174.900 -0.138 0.000 1.186 140 G CA 0.322 45.337 45.100 -0.142 0.000 0.753 140 G HN 0.639 nan 8.290 nan 0.000 0.526 141 K N 0.158 120.505 120.400 -0.087 0.000 2.283 141 K HA 0.268 4.596 4.320 0.013 0.000 0.202 141 K C 2.364 178.893 176.600 -0.119 0.000 1.048 141 K CA 1.399 57.626 56.287 -0.100 0.000 0.948 141 K CB -0.085 32.365 32.500 -0.083 0.000 0.742 141 K HN 0.418 nan 8.250 nan 0.000 0.458 142 L N 1.491 122.670 121.223 -0.073 0.000 2.162 142 L HA -0.078 4.270 4.340 0.013 0.000 0.205 142 L C 1.797 178.619 176.870 -0.080 0.000 1.086 142 L CA 1.559 56.398 54.840 -0.002 0.000 0.778 142 L CB -0.281 41.877 42.059 0.166 0.000 0.928 142 L HN 0.021 nan 8.230 nan 0.000 0.446 143 K N -0.732 119.460 120.400 -0.347 0.000 2.283 143 K HA -0.191 4.137 4.320 0.013 0.000 0.202 143 K C 1.821 178.276 176.600 -0.243 0.000 1.048 143 K CA 1.617 57.561 56.287 -0.572 0.000 0.948 143 K CB -0.458 31.292 32.500 -1.250 0.000 0.742 143 K HN 0.436 nan 8.250 nan 0.000 0.458 144 E N 0.538 120.627 120.200 -0.184 0.000 2.268 144 E HA -0.027 4.331 4.350 0.013 0.000 0.195 144 E C 1.675 178.224 176.600 -0.086 0.000 0.995 144 E CA 0.920 57.249 56.400 -0.120 0.000 0.836 144 E CB 0.057 29.687 29.700 -0.118 0.000 0.763 144 E HN 0.397 nan 8.360 nan 0.000 0.491 145 M N -0.760 118.796 119.600 -0.075 0.000 2.509 145 M HA -0.027 4.461 4.480 0.013 0.000 0.250 145 M C 1.780 178.103 176.300 0.038 0.000 1.132 145 M CA 0.101 55.376 55.300 -0.041 0.000 1.080 145 M CB 0.623 33.176 32.600 -0.078 0.000 1.408 145 M HN 0.030 nan 8.290 nan 0.000 0.484 146 V N 1.728 121.675 119.914 0.055 0.000 2.317 146 V HA -0.219 3.909 4.120 0.013 0.000 0.251 146 V C -0.417 175.725 176.094 0.079 0.000 1.065 146 V CA 2.070 64.427 62.300 0.094 0.000 1.049 146 V CB -2.310 29.584 31.823 0.117 0.000 0.651 146 V HN 0.331 nan 8.190 nan 0.000 0.450 147 P HA -0.124 nan 4.420 nan 0.000 0.215 147 P C 1.781 179.106 177.300 0.042 0.000 1.157 147 P CA 1.555 64.676 63.100 0.036 0.000 0.863 147 P CB -0.140 31.568 31.700 0.014 0.000 0.787 148 I N -0.935 119.666 120.570 0.051 0.000 2.361 148 I HA -0.148 4.030 4.170 0.013 0.000 0.251 148 I C 2.601 178.835 176.117 0.195 0.000 1.133 148 I CA 1.025 62.379 61.300 0.089 0.000 1.413 148 I CB -1.414 36.628 38.000 0.070 0.000 1.073 148 I HN -0.049 nan 8.210 nan 0.000 0.424 149 I N 1.212 121.890 120.570 0.179 0.000 2.270 149 I HA -0.123 4.055 4.170 0.013 0.000 0.239 149 I C 2.793 179.056 176.117 0.242 0.000 1.080 149 I CA 1.101 62.539 61.300 0.232 0.000 1.383 149 I CB -0.542 37.559 38.000 0.169 0.000 1.097 149 I HN 0.071 nan 8.210 nan 0.000 0.420 150 A N 0.244 123.164 122.820 0.167 0.000 1.986 150 A HA -0.293 4.035 4.320 0.013 0.000 0.220 150 A C 2.245 179.905 177.584 0.127 0.000 1.171 150 A CA 1.721 53.851 52.037 0.155 0.000 0.640 150 A CB -0.736 18.327 19.000 0.105 0.000 0.811 150 A HN 0.505 nan 8.150 nan 0.000 0.451 151 Q N -1.534 118.288 119.800 0.038 0.000 2.062 151 Q HA -0.252 4.096 4.340 0.013 0.000 0.209 151 Q C 1.780 177.709 176.000 -0.118 0.000 0.996 151 Q CA 2.248 57.983 55.803 -0.115 0.000 0.859 151 Q CB -0.372 28.180 28.738 -0.310 0.000 0.920 151 Q HN 0.892 nan 8.270 nan 0.000 0.415 152 Y N -0.764 119.610 120.300 0.122 0.000 2.571 152 Y HA -0.038 4.520 4.550 0.014 0.000 0.294 152 Y C 2.253 178.349 175.900 0.328 0.000 1.141 152 Y CA 0.685 58.877 58.100 0.154 0.000 1.308 152 Y CB -0.541 37.930 38.460 0.019 0.000 1.002 152 Y HN 0.182 nan 8.280 nan 0.000 0.551 153 G N 0.044 109.123 108.800 0.465 0.000 2.422 153 G HA2 -0.227 3.741 3.960 0.013 0.000 0.218 153 G HA3 -0.227 3.741 3.960 0.013 0.000 0.218 153 G C 1.363 176.419 174.900 0.259 0.000 1.146 153 G CA 1.266 46.611 45.100 0.409 0.000 0.769 153 G HN 0.301 nan 8.290 nan 0.000 0.547 154 D N 0.222 120.734 120.400 0.186 0.000 2.149 154 D HA -0.055 4.593 4.640 0.013 0.000 0.201 154 D C 2.742 179.133 176.300 0.151 0.000 0.972 154 D CA 0.545 54.625 54.000 0.133 0.000 0.835 154 D CB -0.142 40.702 40.800 0.074 0.000 0.966 154 D HN 0.202 nan 8.370 nan 0.000 0.476 155 V N 1.559 121.578 119.914 0.175 0.000 2.490 155 V HA -0.207 3.921 4.120 0.013 0.000 0.250 155 V C 2.469 178.696 176.094 0.223 0.000 1.061 155 V CA 0.868 63.281 62.300 0.189 0.000 1.064 155 V CB -0.391 31.566 31.823 0.225 0.000 0.670 155 V HN 0.115 nan 8.190 nan 0.000 0.461 156 L N 1.126 122.524 121.223 0.292 0.000 2.017 156 L HA -0.128 4.220 4.340 0.013 0.000 0.208 156 L C 2.569 179.554 176.870 0.192 0.000 1.073 156 L CA 2.567 57.564 54.840 0.261 0.000 0.745 156 L CB -0.612 41.615 42.059 0.281 0.000 0.894 156 L HN 0.312 nan 8.230 nan 0.000 0.432 157 V N -2.116 117.936 119.914 0.230 0.000 2.427 157 V HA -0.208 3.920 4.120 0.013 0.000 0.248 157 V C 2.576 178.835 176.094 0.276 0.000 1.051 157 V CA 1.730 64.225 62.300 0.324 0.000 1.048 157 V CB -0.847 31.146 31.823 0.284 0.000 0.666 157 V HN 0.499 nan 8.190 nan 0.000 0.456 158 R N 0.656 121.262 120.500 0.178 0.000 2.062 158 R HA -0.070 4.279 4.340 0.013 0.000 0.231 158 R C 2.403 178.760 176.300 0.094 0.000 1.136 158 R CA 1.779 57.959 56.100 0.132 0.000 0.948 158 R CB -0.600 29.761 30.300 0.102 0.000 0.845 158 R HN 0.568 nan 8.270 nan 0.000 0.430 159 N N 0.969 119.716 118.700 0.079 0.000 2.166 159 N HA -0.152 4.596 4.740 0.013 0.000 0.186 159 N C 1.715 177.204 175.510 -0.035 0.000 1.019 159 N CA 0.779 53.849 53.050 0.032 0.000 0.856 159 N CB -0.160 38.356 38.487 0.048 0.000 0.993 159 N HN 0.175 nan 8.380 nan 0.000 0.426 160 L N 1.144 122.327 121.223 -0.067 0.000 2.156 160 L HA -0.016 4.332 4.340 0.013 0.000 0.208 160 L C 2.353 179.017 176.870 -0.344 0.000 1.095 160 L CA 1.001 55.687 54.840 -0.257 0.000 0.770 160 L CB -0.237 41.614 42.059 -0.346 0.000 0.914 160 L HN 0.132 nan 8.230 nan 0.000 0.439 161 R N 0.340 120.788 120.500 -0.087 0.000 2.062 161 R HA -0.203 4.145 4.340 0.013 0.000 0.229 161 R C 2.347 178.644 176.300 -0.005 0.000 1.128 161 R CA 1.590 57.721 56.100 0.050 0.000 0.960 161 R CB -0.113 30.364 30.300 0.295 0.000 0.855 161 R HN 0.386 nan 8.270 nan 0.000 0.432 162 R N 0.589 121.091 120.500 0.003 0.000 2.154 162 R HA -0.146 4.202 4.340 0.013 0.000 0.248 162 R C 1.695 177.977 176.300 -0.030 0.000 1.155 162 R CA 1.773 57.871 56.100 -0.003 0.000 0.979 162 R CB -0.556 29.748 30.300 0.005 0.000 0.869 162 R HN 0.200 nan 8.270 nan 0.000 0.452 163 E N 0.663 120.823 120.200 -0.066 0.000 2.060 163 E HA 0.103 4.461 4.350 0.013 0.000 0.189 163 E C 2.036 178.582 176.600 -0.091 0.000 0.974 163 E CA 1.372 57.724 56.400 -0.079 0.000 0.808 163 E CB -0.396 29.244 29.700 -0.100 0.000 0.768 163 E HN 0.448 nan 8.360 nan 0.000 0.453 164 A N 1.604 124.341 122.820 -0.139 0.000 2.225 164 A HA -0.156 4.172 4.320 0.013 0.000 0.215 164 A C 1.761 179.314 177.584 -0.051 0.000 1.164 164 A CA 1.028 52.984 52.037 -0.135 0.000 0.710 164 A CB -0.264 18.590 19.000 -0.243 0.000 0.780 164 A HN 0.070 nan 8.150 nan 0.000 0.473 165 E N -0.226 119.957 120.200 -0.029 0.000 2.051 165 E HA -0.106 4.252 4.350 0.013 0.000 0.189 165 E C 2.086 178.677 176.600 -0.015 0.000 0.979 165 E CA 1.705 58.101 56.400 -0.006 0.000 0.803 165 E CB -1.013 28.689 29.700 0.003 0.000 0.761 165 E HN 0.763 nan 8.360 nan 0.000 0.451 166 T N -1.586 112.954 114.554 -0.024 0.000 3.155 166 T HA 0.102 4.460 4.350 0.013 0.000 0.264 166 T C 1.511 176.196 174.700 -0.024 0.000 1.160 166 T CA 0.801 62.887 62.100 -0.022 0.000 1.075 166 T CB -0.422 68.431 68.868 -0.024 0.000 0.921 166 T HN 0.298 nan 8.240 nan 0.000 0.533 167 G N 0.440 109.223 108.800 -0.029 0.000 2.186 167 G HA2 -0.146 3.822 3.960 0.013 0.000 0.266 167 G HA3 -0.146 3.822 3.960 0.013 0.000 0.266 167 G C 0.195 175.075 174.900 -0.033 0.000 0.982 167 G CA 0.590 45.672 45.100 -0.029 0.000 0.670 167 G HN 1.129 nan 8.290 nan 0.000 0.533 168 K N 0.844 121.221 120.400 -0.038 0.000 2.110 168 K HA 0.821 5.149 4.320 0.013 0.000 0.263 168 K C -1.607 174.964 176.600 -0.049 0.000 0.975 168 K CA -1.234 55.031 56.287 -0.037 0.000 0.895 168 K CB 0.703 33.183 32.500 -0.033 0.000 1.060 168 K HN 0.248 nan 8.250 nan 0.000 0.448 169 P HA 0.259 nan 4.420 nan 0.000 0.271 169 P C -0.583 176.688 177.300 -0.049 0.000 1.218 169 P CA -0.347 62.728 63.100 -0.041 0.000 0.780 169 P CB 0.833 32.519 31.700 -0.023 0.000 0.901 170 V N 2.321 122.202 119.914 -0.056 0.000 2.716 170 V HA 0.291 4.419 4.120 0.013 0.000 0.304 170 V C 0.687 176.745 176.094 -0.060 0.000 1.053 170 V CA -0.209 62.046 62.300 -0.074 0.000 0.984 170 V CB 1.444 33.198 31.823 -0.116 0.000 1.021 170 V HN 0.534 nan 8.190 nan 0.000 0.467 171 T N 4.951 119.460 114.554 -0.075 0.000 2.781 171 T HA 0.388 4.746 4.350 0.013 0.000 0.305 171 T C 1.188 175.821 174.700 -0.113 0.000 1.001 171 T CA -0.288 61.767 62.100 -0.074 0.000 0.950 171 T CB 0.658 69.490 68.868 -0.059 0.000 0.955 171 T HN 0.435 nan 8.240 nan 0.000 0.471 172 L N 2.117 123.266 121.223 -0.123 0.000 2.141 172 L HA -0.048 4.300 4.340 0.013 0.000 0.209 172 L C 2.555 179.346 176.870 -0.131 0.000 1.094 172 L CA 0.915 55.627 54.840 -0.212 0.000 0.763 172 L CB -0.408 41.592 42.059 -0.098 0.000 0.908 172 L HN 0.423 nan 8.230 nan 0.000 0.437 173 K N 0.401 120.765 120.400 -0.060 0.000 2.211 173 K HA -0.187 4.141 4.320 0.013 0.000 0.204 173 K C 1.561 178.166 176.600 0.008 0.000 1.047 173 K CA 1.327 57.601 56.287 -0.021 0.000 0.935 173 K CB -0.140 32.329 32.500 -0.052 0.000 0.728 173 K HN 0.194 nan 8.250 nan 0.000 0.452 174 D N -0.947 119.437 120.400 -0.027 0.000 2.085 174 D HA -0.125 4.523 4.640 0.013 0.000 0.199 174 D C 1.843 178.145 176.300 0.004 0.000 0.981 174 D CA 1.649 55.646 54.000 -0.005 0.000 0.834 174 D CB -0.277 40.508 40.800 -0.027 0.000 0.992 174 D HN 0.103 nan 8.370 nan 0.000 0.457 175 V N -0.800 119.061 119.914 -0.089 0.000 2.295 175 V HA -0.205 3.923 4.120 0.013 0.000 0.246 175 V C 2.126 178.245 176.094 0.041 0.000 1.049 175 V CA 1.416 63.652 62.300 -0.107 0.000 1.024 175 V CB -1.059 30.581 31.823 -0.305 0.000 0.648 175 V HN -0.037 nan 8.190 nan 0.000 0.447 176 F N 2.484 122.459 119.950 0.041 0.000 2.206 176 F HA 0.257 4.792 4.527 0.014 0.000 0.298 176 F C 2.690 178.554 175.800 0.107 0.000 1.090 176 F CA 0.812 58.845 58.000 0.055 0.000 1.323 176 F CB -1.545 37.427 39.000 -0.047 0.000 1.028 176 F HN 0.286 nan 8.300 nan 0.000 0.492 177 G N -0.100 108.849 108.800 0.249 0.000 2.459 177 G HA2 -0.252 3.717 3.960 0.013 0.000 0.217 177 G HA3 -0.252 3.717 3.960 0.013 0.000 0.217 177 G C 1.971 177.079 174.900 0.346 0.000 1.183 177 G CA 1.226 46.482 45.100 0.259 0.000 0.776 177 G HN 0.448 nan 8.290 nan 0.000 0.552 178 A N 0.135 123.101 122.820 0.244 0.000 1.873 178 A HA -0.134 4.194 4.320 0.013 0.000 0.218 178 A C 2.245 179.967 177.584 0.231 0.000 1.193 178 A CA 1.961 54.119 52.037 0.200 0.000 0.629 178 A CB -0.896 18.195 19.000 0.152 0.000 0.826 178 A HN 0.563 nan 8.150 nan 0.000 0.447 179 Y N 0.618 121.026 120.300 0.180 0.000 2.097 179 Y HA -0.212 4.346 4.550 0.013 0.000 0.282 179 Y C 2.940 178.925 175.900 0.142 0.000 1.152 179 Y CA 2.150 60.361 58.100 0.184 0.000 1.136 179 Y CB -0.534 38.080 38.460 0.256 0.000 0.975 179 Y HN 0.318 nan 8.280 nan 0.000 0.498 180 S N -0.177 115.679 115.700 0.261 0.000 2.348 180 S HA -0.279 4.199 4.470 0.013 0.000 0.221 180 S C 2.130 176.823 174.600 0.155 0.000 1.033 180 S CA 1.712 60.010 58.200 0.164 0.000 1.010 180 S CB -0.616 62.699 63.200 0.192 0.000 0.891 180 S HN 0.615 nan 8.310 nan 0.000 0.442 181 M N 1.970 121.745 119.600 0.290 0.000 2.073 181 M HA -0.143 4.345 4.480 0.013 0.000 0.258 181 M C 1.434 177.716 176.300 -0.031 0.000 1.070 181 M CA 2.235 57.604 55.300 0.116 0.000 1.103 181 M CB -1.018 31.584 32.600 0.005 0.000 1.321 181 M HN 0.238 nan 8.290 nan 0.000 0.405 182 D N -0.528 119.813 120.400 -0.098 0.000 2.156 182 D HA -0.198 4.450 4.640 0.013 0.000 0.190 182 D C 2.095 178.057 176.300 -0.563 0.000 0.998 182 D CA 2.240 56.052 54.000 -0.313 0.000 0.842 182 D CB -0.839 39.780 40.800 -0.301 0.000 0.974 182 D HN 0.308 nan 8.370 nan 0.000 0.447 183 V N 1.181 120.748 119.914 -0.578 0.000 2.287 183 V HA -0.215 3.913 4.120 0.013 0.000 0.248 183 V C 2.443 178.485 176.094 -0.086 0.000 1.053 183 V CA 1.070 63.114 62.300 -0.427 0.000 1.027 183 V CB -0.259 31.338 31.823 -0.376 0.000 0.646 183 V HN 0.246 nan 8.190 nan 0.000 0.447 184 I N 0.967 121.553 120.570 0.027 0.000 2.546 184 I HA -0.157 4.022 4.170 0.013 0.000 0.255 184 I C 2.656 178.816 176.117 0.071 0.000 1.163 184 I CA 2.320 63.721 61.300 0.169 0.000 1.457 184 I CB -0.864 37.276 38.000 0.233 0.000 1.092 184 I HN 0.623 nan 8.210 nan 0.000 0.434 185 T N -2.771 111.803 114.554 0.034 0.000 2.770 185 T HA -0.137 4.221 4.350 0.013 0.000 0.263 185 T C 2.166 176.926 174.700 0.099 0.000 1.039 185 T CA 1.470 63.630 62.100 0.100 0.000 1.142 185 T CB -0.689 68.325 68.868 0.243 0.000 0.868 185 T HN 0.219 nan 8.240 nan 0.000 0.435 186 S N 1.979 117.715 115.700 0.060 0.000 2.383 186 S HA -0.168 4.310 4.470 0.013 0.000 0.229 186 S C 2.212 176.860 174.600 0.079 0.000 1.030 186 S CA 2.210 60.468 58.200 0.098 0.000 1.002 186 S CB -1.199 61.992 63.200 -0.015 0.000 0.829 186 S HN 0.872 nan 8.310 nan 0.000 0.467 187 T N -2.321 112.253 114.554 0.033 0.000 3.081 187 T HA 0.243 4.601 4.350 0.013 0.000 0.255 187 T C 1.809 176.535 174.700 0.043 0.000 1.113 187 T CA 0.910 62.995 62.100 -0.026 0.000 1.082 187 T CB -0.101 68.711 68.868 -0.093 0.000 0.939 187 T HN 0.262 nan 8.240 nan 0.000 0.506 188 S N 0.652 116.302 115.700 -0.083 0.000 2.470 188 S HA 0.292 4.770 4.470 0.013 0.000 0.222 188 S C 0.074 174.373 174.600 -0.502 0.000 1.024 188 S CA -0.180 57.831 58.200 -0.315 0.000 0.931 188 S CB -0.093 62.692 63.200 -0.691 0.000 0.791 188 S HN 0.662 nan 8.310 nan 0.000 0.513 189 F N -0.880 119.189 119.950 0.199 0.000 2.608 189 F HA 0.511 5.047 4.527 0.013 0.000 0.383 189 F C 0.978 176.840 175.800 0.102 0.000 1.371 189 F CA -0.742 57.344 58.000 0.144 0.000 1.123 189 F CB -0.299 38.794 39.000 0.154 0.000 1.207 189 F HN 0.012 nan 8.300 nan 0.000 0.512 190 G N 0.836 109.764 108.800 0.214 0.000 2.280 190 G HA2 -0.283 3.685 3.960 0.013 0.000 0.282 190 G HA3 -0.283 3.685 3.960 0.013 0.000 0.282 190 G C -0.041 174.963 174.900 0.174 0.000 1.000 190 G CA 0.575 45.769 45.100 0.156 0.000 0.751 190 G HN 0.406 nan 8.290 nan 0.000 0.515 191 V N 0.736 120.804 119.914 0.257 0.000 2.368 191 V HA 0.268 4.396 4.120 0.013 0.000 0.266 191 V C 0.132 176.383 176.094 0.261 0.000 1.045 191 V CA -0.820 61.603 62.300 0.205 0.000 0.899 191 V CB 1.138 33.057 31.823 0.160 0.000 1.006 191 V HN 0.314 nan 8.190 nan 0.000 0.470 192 N N 5.996 124.831 118.700 0.226 0.000 2.663 192 N HA 0.447 5.195 4.740 0.013 0.000 0.250 192 N C -0.276 175.409 175.510 0.291 0.000 1.129 192 N CA -0.171 53.069 53.050 0.318 0.000 0.995 192 N CB 0.227 38.849 38.487 0.224 0.000 1.324 192 N HN 0.751 nan 8.380 nan 0.000 0.512 193 I N -3.031 117.740 120.570 0.334 0.000 3.100 193 I HA 0.668 4.846 4.170 0.013 0.000 0.312 193 I C -0.125 176.160 176.117 0.279 0.000 1.063 193 I CA -0.997 60.468 61.300 0.275 0.000 1.031 193 I CB 1.616 39.793 38.000 0.295 0.000 1.243 193 I HN -0.014 nan 8.210 nan 0.000 0.483 194 D N 0.137 120.660 120.400 0.205 0.000 2.533 194 D HA 0.664 5.312 4.640 0.013 0.000 0.247 194 D C -1.208 175.171 176.300 0.131 0.000 1.056 194 D CA -0.169 53.940 54.000 0.182 0.000 1.054 194 D CB 2.619 43.512 40.800 0.155 0.000 1.400 194 D HN 0.697 nan 8.370 nan 0.000 0.533 199 P HA -0.023 nan 4.420 nan 0.000 0.248 199 P C -0.390 176.947 177.300 0.062 0.000 1.254 199 P CA 0.312 63.448 63.100 0.060 0.000 1.252 199 P CB -0.688 31.055 31.700 0.071 0.000 1.465 200 Q N 0.927 120.754 119.800 0.044 0.000 2.938 200 Q HA 0.178 4.526 4.340 0.013 0.000 0.343 200 Q C -0.251 175.763 176.000 0.023 0.000 1.185 200 Q CA -0.257 55.566 55.803 0.032 0.000 0.939 200 Q CB 0.034 28.785 28.738 0.020 0.000 1.480 200 Q HN 0.298 nan 8.270 nan 0.000 0.442 201 D N -0.401 120.022 120.400 0.038 0.000 2.123 201 D HA 0.051 4.699 4.640 0.013 0.000 0.323 201 D C -1.265 175.062 176.300 0.045 0.000 1.075 201 D CA 0.070 54.087 54.000 0.030 0.000 0.892 201 D CB -0.539 40.278 40.800 0.028 0.000 1.716 201 D HN 0.269 nan 8.370 nan 0.000 0.531 202 P HA 0.023 nan 4.420 nan 0.000 0.197 202 P C 0.950 178.370 177.300 0.200 0.000 1.043 202 P CA 0.543 63.728 63.100 0.141 0.000 0.815 202 P CB -0.252 31.564 31.700 0.192 0.000 0.666 203 F N -1.729 118.245 119.950 0.040 0.000 2.668 203 F HA 0.359 4.894 4.527 0.013 0.000 0.301 203 F C 0.893 176.723 175.800 0.050 0.000 1.106 203 F CA -0.566 57.471 58.000 0.061 0.000 1.289 203 F CB -1.225 37.916 39.000 0.236 0.000 1.006 203 F HN -0.303 nan 8.300 nan 0.000 0.535 204 V N 0.708 120.620 119.914 -0.004 0.000 2.358 204 V HA -0.219 3.909 4.120 0.013 0.000 0.246 204 V C 2.523 178.524 176.094 -0.154 0.000 1.047 204 V CA 2.249 64.471 62.300 -0.131 0.000 1.035 204 V CB -0.554 31.266 31.823 -0.006 0.000 0.658 204 V HN 0.423 nan 8.190 nan 0.000 0.452 205 E N 0.918 121.062 120.200 -0.093 0.000 2.153 205 E HA -0.187 4.171 4.350 0.013 0.000 0.194 205 E C 1.991 178.520 176.600 -0.119 0.000 0.988 205 E CA 1.457 57.799 56.400 -0.096 0.000 0.811 205 E CB -0.301 29.356 29.700 -0.072 0.000 0.746 205 E HN 0.598 nan 8.360 nan 0.000 0.466 206 N N -0.545 118.071 118.700 -0.140 0.000 2.106 206 N HA -0.104 4.644 4.740 0.013 0.000 0.188 206 N C 1.690 177.138 175.510 -0.103 0.000 1.029 206 N CA 2.020 55.007 53.050 -0.106 0.000 0.848 206 N CB -0.397 38.067 38.487 -0.038 0.000 1.007 206 N HN 0.258 nan 8.380 nan 0.000 0.423 207 T N 1.168 115.585 114.554 -0.228 0.000 2.777 207 T HA -0.074 4.284 4.350 0.013 0.000 0.266 207 T C 1.908 176.475 174.700 -0.221 0.000 1.040 207 T CA 1.023 62.993 62.100 -0.216 0.000 1.141 207 T CB -0.098 68.576 68.868 -0.325 0.000 0.868 207 T HN 0.165 nan 8.240 nan 0.000 0.444 208 K N 0.879 121.141 120.400 -0.229 0.000 2.360 208 K HA 0.007 4.335 4.320 0.013 0.000 0.201 208 K C 1.285 177.791 176.600 -0.156 0.000 1.046 208 K CA 0.755 56.907 56.287 -0.224 0.000 0.945 208 K CB 0.138 32.538 32.500 -0.167 0.000 0.750 208 K HN -0.005 nan 8.250 nan 0.000 0.464 209 K N 1.002 121.337 120.400 -0.108 0.000 3.041 209 K HA 0.174 4.502 4.320 0.013 0.000 0.243 209 K C -0.575 176.012 176.600 -0.021 0.000 1.167 209 K CA 0.153 56.407 56.287 -0.054 0.000 1.235 209 K CB -0.050 32.432 32.500 -0.030 0.000 1.205 209 K HN 0.115 nan 8.250 nan 0.000 0.448 219 F N 0.427 120.421 119.950 0.074 0.000 2.098 219 F HA 0.098 4.633 4.527 0.014 0.000 0.294 219 F C 2.150 177.930 175.800 -0.033 0.000 1.107 219 F CA 1.272 59.261 58.000 -0.017 0.000 1.234 219 F CB -0.515 38.419 39.000 -0.111 0.000 1.002 219 F HN -0.148 nan 8.300 nan 0.000 0.472 220 F N 0.125 120.124 119.950 0.081 0.000 2.216 220 F HA -0.169 4.366 4.527 0.013 0.000 0.300 220 F C 2.140 177.910 175.800 -0.051 0.000 1.085 220 F CA 1.071 59.062 58.000 -0.014 0.000 1.326 220 F CB -0.948 38.120 39.000 0.113 0.000 1.027 220 F HN -0.016 nan 8.300 nan 0.000 0.497 221 L N -0.367 120.958 121.223 0.170 0.000 1.997 221 L HA -0.327 4.021 4.340 0.013 0.000 0.216 221 L C 2.518 179.358 176.870 -0.051 0.000 1.074 221 L CA 2.011 56.894 54.840 0.072 0.000 0.763 221 L CB -0.971 41.131 42.059 0.072 0.000 0.890 221 L HN 0.006 nan 8.230 nan 0.000 0.434 222 S N -0.682 114.966 115.700 -0.088 0.000 2.382 222 S HA -0.126 4.352 4.470 0.013 0.000 0.228 222 S C 1.912 176.414 174.600 -0.163 0.000 1.027 222 S CA 1.536 59.683 58.200 -0.088 0.000 0.991 222 S CB -0.459 62.732 63.200 -0.015 0.000 0.823 222 S HN 0.393 nan 8.310 nan 0.000 0.469 223 I N 1.495 121.903 120.570 -0.271 0.000 2.286 223 I HA -0.159 4.019 4.170 0.013 0.000 0.248 223 I C 2.432 178.488 176.117 -0.102 0.000 1.115 223 I CA 1.082 62.248 61.300 -0.225 0.000 1.392 223 I CB -0.993 36.859 38.000 -0.247 0.000 1.065 223 I HN 0.243 nan 8.210 nan 0.000 0.418 224 T N 0.681 115.205 114.554 -0.050 0.000 2.698 224 T HA -0.092 4.266 4.350 0.013 0.000 0.260 224 T C 2.100 176.745 174.700 -0.092 0.000 1.044 224 T CA 1.263 63.362 62.100 -0.001 0.000 1.149 224 T CB -0.401 68.516 68.868 0.080 0.000 0.864 224 T HN 0.079 nan 8.240 nan 0.000 0.419 225 V N 0.699 120.464 119.914 -0.248 0.000 2.332 225 V HA -0.091 4.037 4.120 0.013 0.000 0.248 225 V C 0.575 176.326 176.094 -0.572 0.000 1.055 225 V CA 1.399 63.404 62.300 -0.492 0.000 1.038 225 V CB -0.625 30.676 31.823 -0.870 0.000 0.651 225 V HN 0.427 nan 8.190 nan 0.000 0.450 226 F N -0.371 119.462 119.950 -0.195 0.000 2.363 226 F HA 0.424 4.959 4.527 0.013 0.000 0.366 226 F C -1.756 173.690 175.800 -0.590 0.000 1.083 226 F CA -2.814 54.833 58.000 -0.589 0.000 1.176 226 F CB 0.444 38.828 39.000 -1.026 0.000 1.432 226 F HN 0.037 nan 8.300 nan 0.000 0.482 227 P HA -0.197 nan 4.420 nan 0.000 0.218 227 P C 1.751 179.018 177.300 -0.055 0.000 1.148 227 P CA 1.320 64.385 63.100 -0.058 0.000 0.822 227 P CB -0.169 31.564 31.700 0.055 0.000 0.784 228 F N -2.023 117.991 119.950 0.106 0.000 2.408 228 F HA -0.078 4.457 4.527 0.013 0.000 0.300 228 F C 1.572 177.398 175.800 0.044 0.000 1.090 228 F CA 0.661 58.699 58.000 0.063 0.000 1.427 228 F CB -1.799 37.234 39.000 0.055 0.000 1.070 228 F HN -0.224 nan 8.300 nan 0.000 0.549 229 L N 0.954 122.023 121.223 -0.257 0.000 2.201 229 L HA -0.108 4.240 4.340 0.013 0.000 0.212 229 L C 2.327 179.177 176.870 -0.034 0.000 1.105 229 L CA 0.985 55.753 54.840 -0.121 0.000 0.775 229 L CB -1.051 40.872 42.059 -0.227 0.000 0.913 229 L HN 0.267 nan 8.230 nan 0.000 0.440 230 I N -0.120 120.428 120.570 -0.037 0.000 2.099 230 I HA -0.257 3.921 4.170 0.013 0.000 0.239 230 I C -0.201 175.929 176.117 0.022 0.000 1.066 230 I CA 1.328 62.622 61.300 -0.010 0.000 1.324 230 I CB -1.805 36.190 38.000 -0.008 0.000 1.037 230 I HN 0.174 nan 8.210 nan 0.000 0.401 231 P HA -0.208 nan 4.420 nan 0.000 0.218 231 P C 1.747 179.074 177.300 0.046 0.000 1.154 231 P CA 1.678 64.805 63.100 0.046 0.000 0.872 231 P CB -0.056 31.681 31.700 0.062 0.000 0.790 232 I N -1.616 118.986 120.570 0.055 0.000 2.142 232 I HA -0.226 3.952 4.170 0.013 0.000 0.240 232 I C 2.371 178.515 176.117 0.045 0.000 1.078 232 I CA 1.502 62.832 61.300 0.050 0.000 1.343 232 I CB -1.090 36.944 38.000 0.057 0.000 1.046 232 I HN -0.151 nan 8.210 nan 0.000 0.405 233 L N -0.087 121.165 121.223 0.048 0.000 2.042 233 L HA -0.210 4.138 4.340 0.013 0.000 0.210 233 L C 2.584 179.484 176.870 0.050 0.000 1.076 233 L CA 1.280 56.156 54.840 0.061 0.000 0.749 233 L CB -0.907 41.205 42.059 0.089 0.000 0.893 233 L HN 0.299 nan 8.230 nan 0.000 0.432 234 E N -0.120 120.104 120.200 0.040 0.000 2.077 234 E HA -0.194 4.164 4.350 0.013 0.000 0.193 234 E C 2.336 178.955 176.600 0.032 0.000 0.989 234 E CA 1.175 57.595 56.400 0.033 0.000 0.800 234 E CB -0.482 29.231 29.700 0.022 0.000 0.746 234 E HN 0.303 nan 8.360 nan 0.000 0.452 235 V N 1.088 121.021 119.914 0.032 0.000 2.759 235 V HA -0.149 3.979 4.120 0.013 0.000 0.256 235 V C 2.031 178.142 176.094 0.029 0.000 1.080 235 V CA 1.011 63.328 62.300 0.028 0.000 1.101 235 V CB -0.182 31.657 31.823 0.026 0.000 0.698 235 V HN 0.171 nan 8.190 nan 0.000 0.477 236 L N 0.053 121.296 121.223 0.033 0.000 2.592 236 L HA 0.235 4.583 4.340 0.013 0.000 0.227 236 L C 1.147 178.037 176.870 0.034 0.000 1.127 236 L CA 0.291 55.150 54.840 0.032 0.000 0.884 236 L CB -0.337 41.743 42.059 0.035 0.000 1.065 236 L HN 0.424 nan 8.230 nan 0.000 0.457 237 N N 0.652 119.375 118.700 0.038 0.000 2.693 237 N HA -0.215 4.533 4.740 0.013 0.000 0.249 237 N C 0.078 175.617 175.510 0.049 0.000 1.119 237 N CA 0.641 53.718 53.050 0.045 0.000 0.717 237 N CB -1.116 37.397 38.487 0.043 0.000 1.071 237 N HN 0.316 nan 8.380 nan 0.000 0.555 238 I N 1.074 121.671 120.570 0.045 0.000 2.517 238 I HA 0.008 4.186 4.170 0.013 0.000 0.285 238 I C 0.734 176.884 176.117 0.055 0.000 1.106 238 I CA 0.144 61.467 61.300 0.038 0.000 1.402 238 I CB 0.604 38.626 38.000 0.037 0.000 1.399 238 I HN 0.055 nan 8.210 nan 0.000 0.535 239 C N 5.729 125.067 119.300 0.064 0.000 2.417 239 C HA 0.174 4.642 4.460 0.013 0.000 0.324 239 C C 1.481 176.520 174.990 0.081 0.000 1.240 239 C CA -0.704 58.377 59.018 0.106 0.000 1.632 239 C CB 1.743 29.581 27.740 0.163 0.000 2.241 239 C HN 0.678 nan 8.230 nan 0.000 0.499 240 V N 2.533 122.492 119.914 0.075 0.000 3.383 240 V HA 0.015 4.144 4.120 0.013 0.000 0.272 240 V C -0.091 175.904 176.094 -0.165 0.000 1.181 240 V CA 1.377 63.651 62.300 -0.043 0.000 1.171 240 V CB -0.964 30.876 31.823 0.028 0.000 0.800 240 V HN 0.736 nan 8.190 nan 0.000 0.515 241 F N 2.287 122.272 119.950 0.058 0.000 2.311 241 F HA 0.463 4.998 4.527 0.013 0.000 0.371 241 F C -1.831 174.027 175.800 0.097 0.000 1.083 241 F CA -2.978 55.068 58.000 0.077 0.000 1.113 241 F CB 0.598 39.588 39.000 -0.016 0.000 1.349 241 F HN 0.042 nan 8.300 nan 0.000 0.470 242 P HA -0.040 nan 4.420 nan 0.000 0.257 242 P C 0.520 177.933 177.300 0.187 0.000 1.162 242 P CA 0.351 63.542 63.100 0.152 0.000 0.762 242 P CB 0.587 32.357 31.700 0.117 0.000 0.753 243 R N 2.380 122.972 120.500 0.153 0.000 2.115 243 R HA -0.169 4.179 4.340 0.013 0.000 0.230 243 R C 1.926 178.309 176.300 0.138 0.000 1.111 243 R CA 1.160 57.353 56.100 0.155 0.000 0.976 243 R CB -0.290 30.078 30.300 0.113 0.000 0.870 243 R HN 0.421 nan 8.270 nan 0.000 0.445 244 E N 0.648 120.912 120.200 0.108 0.000 2.097 244 E HA -0.163 4.195 4.350 0.013 0.000 0.196 244 E C 1.828 178.508 176.600 0.132 0.000 1.000 244 E CA 1.333 57.788 56.400 0.092 0.000 0.804 244 E CB 0.013 29.743 29.700 0.049 0.000 0.740 244 E HN 0.070 nan 8.360 nan 0.000 0.454 245 V N -0.118 119.886 119.914 0.150 0.000 2.273 245 V HA -0.209 3.919 4.120 0.013 0.000 0.242 245 V C 2.491 178.744 176.094 0.264 0.000 1.035 245 V CA 2.119 64.534 62.300 0.191 0.000 1.013 245 V CB -1.039 30.887 31.823 0.171 0.000 0.652 245 V HN 0.539 nan 8.190 nan 0.000 0.452 246 T N -1.262 113.451 114.554 0.266 0.000 2.867 246 T HA -0.142 4.217 4.350 0.013 0.000 0.268 246 T C 1.574 176.398 174.700 0.205 0.000 1.057 246 T CA 1.620 63.897 62.100 0.296 0.000 1.136 246 T CB -0.501 68.615 68.868 0.414 0.000 0.874 246 T HN 0.389 nan 8.240 nan 0.000 0.466 247 N N 0.549 119.347 118.700 0.164 0.000 2.396 247 N HA 0.140 4.888 4.740 0.013 0.000 0.180 247 N C 1.132 176.701 175.510 0.099 0.000 1.028 247 N CA 0.415 53.510 53.050 0.075 0.000 0.893 247 N CB -0.515 38.009 38.487 0.063 0.000 0.967 247 N HN 0.509 nan 8.380 nan 0.000 0.440 248 F N 0.934 120.903 119.950 0.033 0.000 2.118 248 F HA 0.038 4.573 4.527 0.013 0.000 0.293 248 F C 1.686 177.497 175.800 0.018 0.000 1.102 248 F CA 0.691 58.706 58.000 0.025 0.000 1.247 248 F CB -0.349 38.675 39.000 0.040 0.000 1.017 248 F HN -0.134 nan 8.300 nan 0.000 0.475 249 L N 0.883 122.106 121.223 0.001 0.000 2.261 249 L HA -0.167 4.181 4.340 0.013 0.000 0.216 249 L C 2.491 179.260 176.870 -0.168 0.000 1.114 249 L CA 1.332 56.092 54.840 -0.134 0.000 0.777 249 L CB -1.155 40.936 42.059 0.054 0.000 0.910 249 L HN 0.144 nan 8.230 nan 0.000 0.440 250 R N -0.445 119.992 120.500 -0.105 0.000 2.088 250 R HA -0.218 4.130 4.340 0.013 0.000 0.232 250 R C 2.237 178.428 176.300 -0.182 0.000 1.136 250 R CA 1.689 57.718 56.100 -0.118 0.000 0.926 250 R CB -0.090 30.132 30.300 -0.131 0.000 0.837 250 R HN 0.071 nan 8.270 nan 0.000 0.429 251 K N -0.005 120.251 120.400 -0.240 0.000 2.113 251 K HA -0.087 4.242 4.320 0.013 0.000 0.208 251 K C 2.046 178.451 176.600 -0.325 0.000 1.047 251 K CA 1.879 58.012 56.287 -0.258 0.000 0.928 251 K CB -0.143 32.208 32.500 -0.248 0.000 0.716 251 K HN 0.089 nan 8.250 nan 0.000 0.446 252 S N -0.146 115.252 115.700 -0.503 0.000 2.383 252 S HA -0.119 4.359 4.470 0.013 0.000 0.229 252 S C 1.921 176.363 174.600 -0.264 0.000 1.030 252 S CA 1.411 59.332 58.200 -0.465 0.000 1.002 252 S CB -0.214 62.636 63.200 -0.583 0.000 0.829 252 S HN 0.063 nan 8.310 nan 0.000 0.467 253 V N 1.055 120.857 119.914 -0.186 0.000 2.488 253 V HA -0.021 4.107 4.120 0.013 0.000 0.246 253 V C 2.179 178.238 176.094 -0.059 0.000 1.046 253 V CA 1.316 63.581 62.300 -0.060 0.000 1.053 253 V CB -0.503 31.334 31.823 0.024 0.000 0.679 253 V HN 0.258 nan 8.190 nan 0.000 0.458 254 K N 0.402 120.747 120.400 -0.091 0.000 2.026 254 K HA -0.125 4.203 4.320 0.013 0.000 0.208 254 K C 2.363 178.918 176.600 -0.074 0.000 1.048 254 K CA 1.355 57.596 56.287 -0.075 0.000 0.929 254 K CB -0.354 32.095 32.500 -0.086 0.000 0.713 254 K HN 0.270 nan 8.250 nan 0.000 0.439 255 R N 0.659 121.097 120.500 -0.103 0.000 2.083 255 R HA -0.164 4.184 4.340 0.013 0.000 0.237 255 R C 2.203 178.460 176.300 -0.071 0.000 1.137 255 R CA 2.188 58.233 56.100 -0.092 0.000 0.951 255 R CB -0.138 30.087 30.300 -0.125 0.000 0.851 255 R HN 0.337 nan 8.270 nan 0.000 0.434 256 M N -0.490 119.066 119.600 -0.073 0.000 2.510 256 M HA 0.083 4.571 4.480 0.013 0.000 0.256 256 M C 1.895 178.184 176.300 -0.019 0.000 1.132 256 M CA 1.125 56.397 55.300 -0.047 0.000 1.105 256 M CB 0.129 32.698 32.600 -0.052 0.000 1.375 256 M HN -0.102 nan 8.290 nan 0.000 0.477 257 K N 1.237 121.628 120.400 -0.015 0.000 2.103 257 K HA -0.238 4.090 4.320 0.013 0.000 0.207 257 K C 1.922 178.516 176.600 -0.010 0.000 1.048 257 K CA 2.041 58.326 56.287 -0.003 0.000 0.930 257 K CB -0.289 32.209 32.500 -0.003 0.000 0.716 257 K HN 0.653 nan 8.250 nan 0.000 0.444 258 E N 0.303 120.492 120.200 -0.019 0.000 2.171 258 E HA -0.198 4.160 4.350 0.013 0.000 0.197 258 E C 1.637 178.229 176.600 -0.014 0.000 0.997 258 E CA 1.400 57.789 56.400 -0.019 0.000 0.810 258 E CB -0.023 29.662 29.700 -0.025 0.000 0.738 258 E HN 0.296 nan 8.360 nan 0.000 0.467 259 S N -0.137 115.555 115.700 -0.014 0.000 2.423 259 S HA -0.165 4.313 4.470 0.013 0.000 0.238 259 S C 0.753 175.349 174.600 -0.007 0.000 1.028 259 S CA 1.163 59.357 58.200 -0.011 0.000 1.000 259 S CB -0.055 63.139 63.200 -0.009 0.000 0.797 259 S HN 0.150 nan 8.310 nan 0.000 0.487 272 L N 1.268 122.577 121.223 0.143 0.000 2.081 272 L HA -0.195 4.153 4.340 0.013 0.000 0.212 272 L C 2.056 178.960 176.870 0.056 0.000 1.080 272 L CA 2.039 56.946 54.840 0.112 0.000 0.754 272 L CB -0.432 41.705 42.059 0.130 0.000 0.893 272 L HN 0.313 nan 8.230 nan 0.000 0.433 273 Q N -0.252 119.555 119.800 0.011 0.000 2.364 273 Q HA -0.112 4.236 4.340 0.013 0.000 0.209 273 Q C 2.080 178.065 176.000 -0.025 0.000 0.977 273 Q CA 1.110 56.904 55.803 -0.015 0.000 0.885 273 Q CB 0.080 28.791 28.738 -0.046 0.000 0.941 273 Q HN 0.575 nan 8.270 nan 0.000 0.464 274 L N -1.483 119.724 121.223 -0.026 0.000 2.556 274 L HA 0.132 4.480 4.340 0.013 0.000 0.226 274 L C 2.102 178.980 176.870 0.012 0.000 1.089 274 L CA -0.025 54.801 54.840 -0.025 0.000 0.864 274 L CB -0.021 42.000 42.059 -0.062 0.000 1.067 274 L HN 0.113 nan 8.230 nan 0.000 0.477 275 M N -0.397 119.230 119.600 0.045 0.000 2.288 275 M HA -0.091 4.397 4.480 0.013 0.000 0.266 275 M C 2.121 178.448 176.300 0.044 0.000 1.072 275 M CA 1.668 57.007 55.300 0.064 0.000 1.132 275 M CB -0.030 32.632 32.600 0.104 0.000 1.386 275 M HN 0.222 nan 8.290 nan 0.000 0.432 276 I N 0.290 120.882 120.570 0.035 0.000 2.202 276 I HA -0.273 3.905 4.170 0.013 0.000 0.242 276 I C 1.397 177.522 176.117 0.014 0.000 1.091 276 I CA 1.071 62.385 61.300 0.024 0.000 1.368 276 I CB -0.504 37.508 38.000 0.021 0.000 1.058 276 I HN 0.191 nan 8.210 nan 0.000 0.410 277 D N 0.109 120.514 120.400 0.008 0.000 2.384 277 D HA -0.126 4.522 4.640 0.013 0.000 0.222 277 D C 1.711 178.014 176.300 0.004 0.000 0.976 277 D CA 0.792 54.793 54.000 0.002 0.000 0.915 277 D CB -0.172 40.624 40.800 -0.006 0.000 0.896 277 D HN 0.088 nan 8.370 nan 0.000 0.523 278 S N -0.588 115.118 115.700 0.011 0.000 2.618 278 S HA 0.128 4.606 4.470 0.013 0.000 0.242 278 S C 0.279 174.885 174.600 0.011 0.000 0.972 278 S CA -0.258 57.949 58.200 0.013 0.000 1.004 278 S CB 0.003 63.216 63.200 0.023 0.000 0.778 278 S HN 0.128 nan 8.310 nan 0.000 0.459 288 K N 0.510 120.896 120.400 -0.023 0.000 2.482 288 K HA 0.775 5.103 4.320 0.013 0.000 0.251 288 K C -0.673 175.917 176.600 -0.016 0.000 0.936 288 K CA -0.076 56.197 56.287 -0.023 0.000 0.791 288 K CB 2.934 35.413 32.500 -0.035 0.000 1.213 288 K HN 0.820 nan 8.250 nan 0.000 0.428 289 A N 2.621 125.434 122.820 -0.012 0.000 2.252 289 A HA 0.700 5.028 4.320 0.013 0.000 0.305 289 A C -1.002 176.579 177.584 -0.005 0.000 1.097 289 A CA -0.649 51.384 52.037 -0.007 0.000 0.849 289 A CB 0.563 19.560 19.000 -0.005 0.000 1.142 289 A HN 0.708 nan 8.150 nan 0.000 0.499 290 L N 1.245 122.468 121.223 0.000 0.000 2.427 290 L HA 0.318 4.666 4.340 0.013 0.000 0.264 290 L C 0.024 176.899 176.870 0.008 0.000 0.989 290 L CA -0.224 54.619 54.840 0.005 0.000 0.865 290 L CB 1.404 43.469 42.059 0.011 0.000 1.209 290 L HN 0.819 nan 8.230 nan 0.000 0.430 291 S N 1.588 117.293 115.700 0.008 0.000 2.592 291 S HA -0.020 4.458 4.470 0.013 0.000 0.256 291 S C 0.474 175.080 174.600 0.009 0.000 1.369 291 S CA -0.274 57.930 58.200 0.007 0.000 0.984 291 S CB 0.836 64.041 63.200 0.009 0.000 0.919 291 S HN 0.654 nan 8.310 nan 0.000 0.576 292 D N -0.211 120.190 120.400 0.003 0.000 2.240 292 D HA 0.074 4.722 4.640 0.013 0.000 0.206 292 D C 1.453 177.754 176.300 0.001 0.000 0.963 292 D CA 0.487 54.487 54.000 0.000 0.000 0.863 292 D CB 0.051 40.844 40.800 -0.011 0.000 0.973 292 D HN 0.143 nan 8.370 nan 0.000 0.501 293 L N 0.678 121.900 121.223 -0.001 0.000 2.446 293 L HA 0.138 4.486 4.340 0.013 0.000 0.219 293 L C 1.808 178.718 176.870 0.067 0.000 1.116 293 L CA 0.954 55.797 54.840 0.005 0.000 0.844 293 L CB -0.676 41.361 42.059 -0.038 0.000 0.970 293 L HN 0.093 nan 8.230 nan 0.000 0.457 294 E N -0.146 120.083 120.200 0.047 0.000 2.077 294 E HA -0.250 4.108 4.350 0.013 0.000 0.193 294 E C 2.156 178.771 176.600 0.025 0.000 0.989 294 E CA 0.879 57.303 56.400 0.040 0.000 0.800 294 E CB -0.014 29.700 29.700 0.023 0.000 0.746 294 E HN 0.187 nan 8.360 nan 0.000 0.452 295 L N 0.472 121.711 121.223 0.026 0.000 2.042 295 L HA -0.216 4.132 4.340 0.013 0.000 0.210 295 L C 2.268 179.155 176.870 0.027 0.000 1.076 295 L CA 1.284 56.138 54.840 0.023 0.000 0.749 295 L CB -0.256 41.826 42.059 0.038 0.000 0.893 295 L HN 0.005 nan 8.230 nan 0.000 0.432 296 V N -0.537 119.416 119.914 0.065 0.000 2.332 296 V HA -0.322 3.806 4.120 0.013 0.000 0.248 296 V C 2.695 178.857 176.094 0.114 0.000 1.055 296 V CA 1.676 64.045 62.300 0.115 0.000 1.038 296 V CB -1.483 30.408 31.823 0.113 0.000 0.651 296 V HN 0.566 nan 8.190 nan 0.000 0.450 297 A N -0.383 122.494 122.820 0.096 0.000 1.902 297 A HA -0.230 4.098 4.320 0.013 0.000 0.217 297 A C 2.215 179.689 177.584 -0.183 0.000 1.181 297 A CA 1.645 53.660 52.037 -0.036 0.000 0.623 297 A CB -0.460 18.491 19.000 -0.081 0.000 0.818 297 A HN 0.543 nan 8.150 nan 0.000 0.443 298 Q N 0.623 120.272 119.800 -0.252 0.000 2.084 298 Q HA -0.138 4.210 4.340 0.013 0.000 0.202 298 Q C 2.424 177.822 176.000 -1.003 0.000 0.978 298 Q CA 2.033 57.465 55.803 -0.618 0.000 0.844 298 Q CB -1.005 27.437 28.738 -0.494 0.000 0.898 298 Q HN 0.803 nan 8.270 nan 0.000 0.426 299 S N 0.409 115.831 115.700 -0.462 0.000 2.406 299 S HA -0.025 4.453 4.470 0.013 0.000 0.228 299 S C 2.119 176.709 174.600 -0.017 0.000 1.020 299 S CA 0.712 58.769 58.200 -0.239 0.000 0.965 299 S CB -0.395 62.844 63.200 0.066 0.000 0.798 299 S HN 0.266 nan 8.310 nan 0.000 0.488 300 I N 1.005 121.623 120.570 0.080 0.000 2.286 300 I HA -0.070 4.108 4.170 0.013 0.000 0.245 300 I C 2.359 178.615 176.117 0.231 0.000 1.104 300 I CA 0.834 62.273 61.300 0.231 0.000 1.397 300 I CB -0.270 37.846 38.000 0.193 0.000 1.072 300 I HN 0.243 nan 8.210 nan 0.000 0.417 301 I N 0.538 121.107 120.570 -0.002 0.000 2.439 301 I HA -0.229 3.949 4.170 0.013 0.000 0.251 301 I C 2.338 178.612 176.117 0.261 0.000 1.139 301 I CA 1.682 63.025 61.300 0.072 0.000 1.438 301 I CB -0.558 37.395 38.000 -0.078 0.000 1.085 301 I HN 0.085 nan 8.210 nan 0.000 0.427 302 F N 1.151 121.171 119.950 0.117 0.000 2.171 302 F HA -0.182 4.352 4.527 0.012 0.000 0.300 302 F C 2.483 178.363 175.800 0.132 0.000 1.090 302 F CA 0.910 58.946 58.000 0.060 0.000 1.293 302 F CB -1.401 37.552 39.000 -0.079 0.000 1.013 302 F HN 0.051 nan 8.300 nan 0.000 0.486 303 I N -1.266 119.511 120.570 0.346 0.000 2.113 303 I HA -0.331 3.847 4.170 0.013 0.000 0.238 303 I C 2.371 178.660 176.117 0.285 0.000 1.070 303 I CA 1.428 62.892 61.300 0.273 0.000 1.332 303 I CB -0.789 37.353 38.000 0.238 0.000 1.044 303 I HN -0.071 nan 8.210 nan 0.000 0.402 304 F N 1.163 121.240 119.950 0.213 0.000 2.091 304 F HA -0.307 4.229 4.527 0.014 0.000 0.299 304 F C 2.626 178.540 175.800 0.191 0.000 1.103 304 F CA 1.917 60.041 58.000 0.206 0.000 1.228 304 F CB -0.738 38.386 39.000 0.208 0.000 0.984 304 F HN 0.028 nan 8.300 nan 0.000 0.477 305 A N -0.388 122.665 122.820 0.389 0.000 1.898 305 A HA -0.030 4.298 4.320 0.013 0.000 0.216 305 A C 2.490 180.207 177.584 0.221 0.000 1.181 305 A CA 1.827 54.026 52.037 0.270 0.000 0.620 305 A CB -1.511 17.643 19.000 0.256 0.000 0.819 305 A HN 0.421 nan 8.150 nan 0.000 0.442 306 G N -2.250 106.702 108.800 0.252 0.000 2.459 306 G HA2 -0.029 3.939 3.960 0.013 0.000 0.213 306 G HA3 -0.029 3.939 3.960 0.013 0.000 0.213 306 G C 1.475 176.494 174.900 0.200 0.000 1.155 306 G CA 0.986 46.229 45.100 0.239 0.000 0.811 306 G HN 0.513 nan 8.290 nan 0.000 0.534 307 Y N 1.577 121.933 120.300 0.093 0.000 2.060 307 Y HA -0.123 4.435 4.550 0.013 0.000 0.276 307 Y C 2.667 178.589 175.900 0.036 0.000 1.127 307 Y CA 2.380 60.508 58.100 0.046 0.000 1.104 307 Y CB -0.424 38.029 38.460 -0.012 0.000 0.983 307 Y HN 0.259 nan 8.280 nan 0.000 0.483 308 E N -0.440 119.547 120.200 -0.355 0.000 2.152 308 E HA -0.105 4.253 4.350 0.013 0.000 0.192 308 E C 2.121 178.590 176.600 -0.219 0.000 0.983 308 E CA 1.885 58.022 56.400 -0.438 0.000 0.818 308 E CB -0.289 29.316 29.700 -0.159 0.000 0.758 308 E HN 0.703 nan 8.360 nan 0.000 0.467 309 T N -2.249 112.254 114.554 -0.086 0.000 2.643 309 T HA -0.175 4.183 4.350 0.013 0.000 0.264 309 T C 2.017 176.694 174.700 -0.038 0.000 1.045 309 T CA 1.877 63.960 62.100 -0.029 0.000 1.155 309 T CB -1.127 67.759 68.868 0.029 0.000 0.863 309 T HN 0.050 nan 8.240 nan 0.000 0.420 310 T N 1.833 116.371 114.554 -0.026 0.000 2.720 310 T HA -0.127 4.231 4.350 0.013 0.000 0.268 310 T C 2.349 176.992 174.700 -0.096 0.000 1.037 310 T CA 1.602 63.689 62.100 -0.023 0.000 1.144 310 T CB -0.736 68.153 68.868 0.035 0.000 0.864 310 T HN 0.521 nan 8.240 nan 0.000 0.444 311 S N 0.623 116.218 115.700 -0.174 0.000 2.356 311 S HA -0.142 4.336 4.470 0.013 0.000 0.223 311 S C 2.376 176.864 174.600 -0.187 0.000 1.032 311 S CA 1.832 59.916 58.200 -0.192 0.000 1.005 311 S CB -0.661 62.312 63.200 -0.378 0.000 0.867 311 S HN 0.446 nan 8.310 nan 0.000 0.449 312 S N 0.194 115.784 115.700 -0.183 0.000 2.348 312 S HA -0.092 4.386 4.470 0.013 0.000 0.221 312 S C 1.899 176.452 174.600 -0.078 0.000 1.033 312 S CA 1.703 59.800 58.200 -0.170 0.000 1.010 312 S CB -0.788 62.389 63.200 -0.038 0.000 0.891 312 S HN 0.412 nan 8.310 nan 0.000 0.442 313 V N 2.354 122.301 119.914 0.054 0.000 2.282 313 V HA -0.212 3.916 4.120 0.013 0.000 0.249 313 V C 2.482 178.545 176.094 -0.051 0.000 1.057 313 V CA 2.117 64.483 62.300 0.111 0.000 1.032 313 V CB -0.840 31.002 31.823 0.031 0.000 0.645 313 V HN 0.472 nan 8.190 nan 0.000 0.447 314 L N -0.314 120.769 121.223 -0.233 0.000 1.990 314 L HA -0.246 4.102 4.340 0.013 0.000 0.213 314 L C 2.716 179.339 176.870 -0.412 0.000 1.072 314 L CA 2.074 56.608 54.840 -0.511 0.000 0.755 314 L CB -0.689 40.795 42.059 -0.959 0.000 0.889 314 L HN 0.294 nan 8.230 nan 0.000 0.432 315 S N -0.861 114.671 115.700 -0.280 0.000 2.374 315 S HA -0.193 4.285 4.470 0.013 0.000 0.227 315 S C 1.741 176.165 174.600 -0.293 0.000 1.037 315 S CA 1.520 59.592 58.200 -0.212 0.000 1.024 315 S CB -0.337 62.646 63.200 -0.361 0.000 0.861 315 S HN 0.222 nan 8.310 nan 0.000 0.456 316 F N 1.313 121.099 119.950 -0.274 0.000 2.075 316 F HA -0.008 4.527 4.527 0.014 0.000 0.297 316 F C 2.075 177.752 175.800 -0.206 0.000 1.113 316 F CA 0.657 58.424 58.000 -0.388 0.000 1.218 316 F CB -0.770 37.850 39.000 -0.633 0.000 0.984 316 F HN 0.151 nan 8.300 nan 0.000 0.472 317 I N -0.930 119.651 120.570 0.018 0.000 2.118 317 I HA -0.391 3.787 4.170 0.013 0.000 0.241 317 I C 2.370 178.424 176.117 -0.105 0.000 1.070 317 I CA 1.145 62.422 61.300 -0.039 0.000 1.327 317 I CB -0.463 37.491 38.000 -0.076 0.000 1.034 317 I HN 0.088 nan 8.210 nan 0.000 0.405 318 M N -0.144 119.368 119.600 -0.146 0.000 2.110 318 M HA -0.294 4.194 4.480 0.013 0.000 0.257 318 M C 2.373 178.605 176.300 -0.113 0.000 1.071 318 M CA 1.928 57.101 55.300 -0.211 0.000 1.096 318 M CB -1.384 31.101 32.600 -0.191 0.000 1.300 318 M HN 0.272 nan 8.290 nan 0.000 0.411 319 Y N 0.886 121.096 120.300 -0.150 0.000 2.151 319 Y HA -0.282 4.276 4.550 0.013 0.000 0.284 319 Y C 2.193 178.041 175.900 -0.086 0.000 1.166 319 Y CA 1.957 59.999 58.100 -0.096 0.000 1.163 319 Y CB -0.137 38.268 38.460 -0.092 0.000 0.974 319 Y HN 0.256 nan 8.280 nan 0.000 0.511 320 E N 0.414 120.575 120.200 -0.066 0.000 2.047 320 E HA -0.174 4.184 4.350 0.013 0.000 0.191 320 E C 2.383 178.799 176.600 -0.307 0.000 0.987 320 E CA 1.438 57.614 56.400 -0.373 0.000 0.799 320 E CB -0.580 28.577 29.700 -0.905 0.000 0.752 320 E HN 0.554 nan 8.360 nan 0.000 0.449 321 L N 0.533 121.642 121.223 -0.191 0.000 1.976 321 L HA -0.194 4.154 4.340 0.013 0.000 0.209 321 L C 2.630 179.500 176.870 0.000 0.000 1.071 321 L CA 1.287 56.108 54.840 -0.032 0.000 0.746 321 L CB -0.790 41.265 42.059 -0.006 0.000 0.890 321 L HN 0.069 nan 8.230 nan 0.000 0.432 322 A N -0.723 122.070 122.820 -0.044 0.000 1.869 322 A HA -0.312 4.016 4.320 0.013 0.000 0.218 322 A C 2.335 179.857 177.584 -0.102 0.000 1.203 322 A CA 2.799 54.823 52.037 -0.022 0.000 0.638 322 A CB -1.143 17.834 19.000 -0.037 0.000 0.831 322 A HN 0.392 nan 8.150 nan 0.000 0.450 323 T N -1.807 112.600 114.554 -0.244 0.000 3.194 323 T HA 0.080 4.438 4.350 0.013 0.000 0.251 323 T C -0.214 174.227 174.700 -0.431 0.000 1.132 323 T CA 0.387 62.279 62.100 -0.348 0.000 1.028 323 T CB -0.452 68.076 68.868 -0.568 0.000 0.976 323 T HN 0.570 nan 8.240 nan 0.000 0.535 324 H N -0.043 118.969 119.070 -0.098 0.000 2.439 324 H HA 0.313 4.878 4.556 0.014 0.000 0.228 324 H C -2.140 173.222 175.328 0.056 0.000 1.423 324 H CA -1.526 54.529 56.048 0.011 0.000 1.386 324 H CB 1.117 30.927 29.762 0.079 0.000 1.641 324 H HN 0.130 nan 8.280 nan 0.000 0.508 325 P HA -0.198 nan 4.420 nan 0.000 0.216 325 P C 1.045 178.416 177.300 0.118 0.000 1.150 325 P CA 1.411 64.566 63.100 0.092 0.000 0.843 325 P CB 0.373 32.101 31.700 0.048 0.000 0.787 326 D N -0.784 119.690 120.400 0.124 0.000 2.149 326 D HA -0.132 4.516 4.640 0.013 0.000 0.198 326 D C 1.782 178.182 176.300 0.167 0.000 0.990 326 D CA 1.059 55.133 54.000 0.123 0.000 0.839 326 D CB -1.425 39.444 40.800 0.116 0.000 0.948 326 D HN 0.080 nan 8.370 nan 0.000 0.460 327 V N 0.359 120.421 119.914 0.246 0.000 2.407 327 V HA -0.212 3.916 4.120 0.013 0.000 0.245 327 V C 2.741 179.025 176.094 0.317 0.000 1.041 327 V CA 1.634 64.139 62.300 0.342 0.000 1.040 327 V CB -0.789 31.281 31.823 0.411 0.000 0.671 327 V HN 0.193 nan 8.190 nan 0.000 0.455 328 Q N 0.044 119.984 119.800 0.234 0.000 2.014 328 Q HA -0.312 4.036 4.340 0.013 0.000 0.207 328 Q C 2.436 178.542 176.000 0.176 0.000 0.993 328 Q CA 2.392 58.312 55.803 0.195 0.000 0.850 328 Q CB -0.328 28.508 28.738 0.164 0.000 0.916 328 Q HN 0.625 nan 8.270 nan 0.000 0.417 329 Q N 0.244 120.126 119.800 0.137 0.000 2.112 329 Q HA -0.272 4.076 4.340 0.013 0.000 0.206 329 Q C 2.049 178.096 176.000 0.079 0.000 0.987 329 Q CA 2.093 57.953 55.803 0.096 0.000 0.858 329 Q CB -0.086 28.693 28.738 0.068 0.000 0.905 329 Q HN 0.291 nan 8.270 nan 0.000 0.420 330 K N 0.175 120.623 120.400 0.081 0.000 2.097 330 K HA -0.105 4.223 4.320 0.013 0.000 0.206 330 K C 2.148 178.758 176.600 0.016 0.000 1.049 330 K CA 0.786 57.049 56.287 -0.039 0.000 0.933 330 K CB -0.190 32.183 32.500 -0.212 0.000 0.717 330 K HN 0.217 nan 8.250 nan 0.000 0.442 331 L N 0.798 122.173 121.223 0.253 0.000 2.027 331 L HA -0.240 4.108 4.340 0.013 0.000 0.206 331 L C 2.434 179.402 176.870 0.163 0.000 1.074 331 L CA 1.515 56.547 54.840 0.321 0.000 0.745 331 L CB -0.280 41.965 42.059 0.308 0.000 0.898 331 L HN 0.408 nan 8.230 nan 0.000 0.433 332 Q N -0.299 119.579 119.800 0.130 0.000 2.077 332 Q HA -0.297 4.051 4.340 0.013 0.000 0.206 332 Q C 1.972 178.006 176.000 0.058 0.000 0.989 332 Q CA 2.151 58.009 55.803 0.091 0.000 0.853 332 Q CB -0.174 28.616 28.738 0.086 0.000 0.907 332 Q HN 0.561 nan 8.270 nan 0.000 0.418 333 E N 0.506 120.729 120.200 0.039 0.000 2.118 333 E HA -0.241 4.117 4.350 0.013 0.000 0.195 333 E C 1.944 178.551 176.600 0.011 0.000 0.992 333 E CA 1.079 57.487 56.400 0.012 0.000 0.804 333 E CB -0.049 29.644 29.700 -0.012 0.000 0.741 333 E HN 0.360 nan 8.360 nan 0.000 0.458 334 E N 0.758 120.971 120.200 0.022 0.000 2.107 334 E HA -0.177 4.181 4.350 0.013 0.000 0.191 334 E C 2.061 178.687 176.600 0.043 0.000 0.982 334 E CA 0.699 57.118 56.400 0.033 0.000 0.809 334 E CB 0.029 29.770 29.700 0.068 0.000 0.756 334 E HN 0.240 nan 8.360 nan 0.000 0.459 335 I N 1.654 122.257 120.570 0.055 0.000 2.163 335 I HA -0.251 3.927 4.170 0.013 0.000 0.240 335 I C 1.893 178.030 176.117 0.033 0.000 1.081 335 I CA 1.213 62.542 61.300 0.049 0.000 1.353 335 I CB -0.246 37.789 38.000 0.059 0.000 1.054 335 I HN 0.019 nan 8.210 nan 0.000 0.407 336 D N 0.938 121.355 120.400 0.028 0.000 2.310 336 D HA -0.087 4.561 4.640 0.013 0.000 0.212 336 D C 2.054 178.362 176.300 0.013 0.000 0.965 336 D CA 1.208 55.218 54.000 0.017 0.000 0.879 336 D CB 0.082 40.889 40.800 0.013 0.000 0.921 336 D HN 0.398 nan 8.370 nan 0.000 0.510 337 A N 0.202 123.031 122.820 0.014 0.000 1.878 337 A HA -0.019 4.309 4.320 0.013 0.000 0.213 337 A C 2.403 179.994 177.584 0.012 0.000 1.192 337 A CA 0.501 52.544 52.037 0.010 0.000 0.619 337 A CB -0.319 18.684 19.000 0.006 0.000 0.837 337 A HN 0.121 nan 8.150 nan 0.000 0.446 338 V N -0.478 119.446 119.914 0.017 0.000 2.591 338 V HA 0.038 4.166 4.120 0.013 0.000 0.249 338 V C 0.775 176.880 176.094 0.018 0.000 1.053 338 V CA 1.074 63.384 62.300 0.017 0.000 1.068 338 V CB -0.478 31.357 31.823 0.020 0.000 0.689 338 V HN 0.415 nan 8.190 nan 0.000 0.462 339 L N 2.728 123.963 121.223 0.019 0.000 2.502 339 L HA 0.379 4.728 4.340 0.013 0.000 0.247 339 L C -2.494 174.384 176.870 0.013 0.000 1.180 339 L CA -1.436 53.414 54.840 0.018 0.000 0.956 339 L CB 1.289 43.361 42.059 0.022 0.000 1.282 339 L HN 0.121 nan 8.230 nan 0.000 0.470 340 P HA 0.123 nan 4.420 nan 0.000 0.274 340 P C -0.145 177.157 177.300 0.004 0.000 1.231 340 P CA 0.054 63.157 63.100 0.006 0.000 0.790 340 P CB 0.656 32.359 31.700 0.005 0.000 0.951 341 N N 0.594 119.294 118.700 -0.000 0.000 2.741 341 N HA -0.209 4.539 4.740 0.013 0.000 0.251 341 N C 0.326 175.833 175.510 -0.006 0.000 1.112 341 N CA 1.493 54.540 53.050 -0.004 0.000 0.750 341 N CB -1.641 36.845 38.487 -0.002 0.000 1.119 341 N HN 0.738 nan 8.380 nan 0.000 0.561 342 K N -2.271 118.126 120.400 -0.004 0.000 3.379 342 K HA -0.200 4.128 4.320 0.013 0.000 0.300 342 K C 0.176 176.777 176.600 0.002 0.000 1.302 342 K CA 0.838 57.121 56.287 -0.007 0.000 0.877 342 K CB -1.402 31.085 32.500 -0.021 0.000 1.343 342 K HN 0.564 nan 8.250 nan 0.000 0.488 343 A N 1.446 124.271 122.820 0.008 0.000 2.520 343 A HA 0.256 4.584 4.320 0.013 0.000 0.235 343 A C -1.942 175.654 177.584 0.020 0.000 1.065 343 A CA -0.423 51.622 52.037 0.013 0.000 0.764 343 A CB -0.104 18.904 19.000 0.014 0.000 1.002 343 A HN 0.191 nan 8.150 nan 0.000 0.502 344 P HA 0.218 nan 4.420 nan 0.000 0.271 344 P C -2.646 174.677 177.300 0.039 0.000 1.216 344 P CA -1.078 62.042 63.100 0.033 0.000 0.771 344 P CB 0.101 31.820 31.700 0.032 0.000 0.864 345 P HA 0.130 nan 4.420 nan 0.000 0.271 345 P C -0.467 176.870 177.300 0.061 0.000 1.216 345 P CA 0.253 63.382 63.100 0.048 0.000 0.771 345 P CB 0.468 32.198 31.700 0.050 0.000 0.864 346 T N 2.354 116.946 114.554 0.063 0.000 2.918 346 T HA 0.109 4.467 4.350 0.013 0.000 0.286 346 T C 0.837 175.607 174.700 0.116 0.000 1.026 346 T CA -0.153 62.004 62.100 0.095 0.000 1.031 346 T CB 0.953 69.874 68.868 0.089 0.000 1.046 346 T HN 0.361 nan 8.240 nan 0.000 0.479 347 Y N 2.108 122.423 120.300 0.025 0.000 2.029 347 Y HA -0.361 4.197 4.550 0.013 0.000 0.269 347 Y C 2.214 178.127 175.900 0.021 0.000 1.201 347 Y CA 2.345 60.460 58.100 0.024 0.000 1.115 347 Y CB -0.204 38.271 38.460 0.025 0.000 0.945 347 Y HN 0.708 nan 8.280 nan 0.000 0.497 348 D N -0.976 119.535 120.400 0.186 0.000 2.133 348 D HA -0.170 4.478 4.640 0.013 0.000 0.195 348 D C 2.172 178.468 176.300 -0.006 0.000 0.997 348 D CA 2.281 56.332 54.000 0.085 0.000 0.840 348 D CB -0.331 40.545 40.800 0.127 0.000 0.947 348 D HN 0.636 nan 8.370 nan 0.000 0.452 349 T N -2.523 112.037 114.554 0.010 0.000 3.054 349 T HA 0.050 4.408 4.350 0.013 0.000 0.259 349 T C 2.136 176.824 174.700 -0.021 0.000 1.092 349 T CA 0.252 62.353 62.100 0.001 0.000 1.121 349 T CB -0.127 68.753 68.868 0.020 0.000 0.912 349 T HN -0.087 nan 8.240 nan 0.000 0.489 350 V N 1.112 120.998 119.914 -0.046 0.000 2.379 350 V HA 0.099 4.227 4.120 0.013 0.000 0.245 350 V C 2.218 178.250 176.094 -0.104 0.000 1.044 350 V CA 0.996 63.257 62.300 -0.065 0.000 1.036 350 V CB -0.536 31.246 31.823 -0.069 0.000 0.664 350 V HN 0.367 nan 8.190 nan 0.000 0.453 351 L N 0.162 121.277 121.223 -0.180 0.000 2.737 351 L HA -0.012 4.336 4.340 0.013 0.000 0.246 351 L C 1.811 178.626 176.870 -0.092 0.000 1.153 351 L CA 1.333 56.061 54.840 -0.185 0.000 0.920 351 L CB -0.310 41.555 42.059 -0.323 0.000 1.090 351 L HN 0.333 nan 8.230 nan 0.000 0.430 352 Q N -1.207 118.559 119.800 -0.056 0.000 2.179 352 Q HA 0.192 4.540 4.340 0.013 0.000 0.244 352 Q C 0.298 176.297 176.000 -0.002 0.000 0.808 352 Q CA -0.069 55.721 55.803 -0.021 0.000 0.955 352 Q CB 0.592 29.323 28.738 -0.011 0.000 1.141 352 Q HN 0.370 nan 8.270 nan 0.000 0.485 353 M N 1.980 121.577 119.600 -0.004 0.000 2.319 353 M HA 0.091 4.579 4.480 0.013 0.000 0.343 353 M C 0.949 177.267 176.300 0.031 0.000 1.364 353 M CA 0.087 55.401 55.300 0.024 0.000 1.292 353 M CB 0.871 33.486 32.600 0.025 0.000 1.432 353 M HN 0.102 nan 8.290 nan 0.000 0.448 354 E N 2.173 122.406 120.200 0.054 0.000 2.051 354 E HA -0.232 4.127 4.350 0.013 0.000 0.192 354 E C 1.243 177.903 176.600 0.099 0.000 0.991 354 E CA 1.716 58.154 56.400 0.064 0.000 0.799 354 E CB 0.132 29.876 29.700 0.073 0.000 0.748 354 E HN 0.755 nan 8.360 nan 0.000 0.449 355 Y N 0.826 121.125 120.300 -0.002 0.000 2.242 355 Y HA -0.176 4.382 4.550 0.014 0.000 0.291 355 Y C 2.087 177.986 175.900 -0.002 0.000 1.137 355 Y CA 1.165 59.266 58.100 0.003 0.000 1.181 355 Y CB -0.221 38.246 38.460 0.013 0.000 0.989 355 Y HN 0.128 nan 8.280 nan 0.000 0.527 356 L N 0.283 121.508 121.223 0.003 0.000 2.093 356 L HA -0.155 4.193 4.340 0.013 0.000 0.208 356 L C 1.856 178.653 176.870 -0.122 0.000 1.085 356 L CA 2.385 57.184 54.840 -0.069 0.000 0.755 356 L CB -0.888 41.167 42.059 -0.006 0.000 0.904 356 L HN 0.198 nan 8.230 nan 0.000 0.435 357 D N -1.367 118.975 120.400 -0.096 0.000 2.219 357 D HA -0.190 4.458 4.640 0.013 0.000 0.205 357 D C 2.099 178.281 176.300 -0.197 0.000 0.970 357 D CA 1.240 55.169 54.000 -0.118 0.000 0.851 357 D CB 0.065 40.822 40.800 -0.073 0.000 0.943 357 D HN 0.383 nan 8.370 nan 0.000 0.488 358 M N -0.806 118.670 119.600 -0.208 0.000 2.156 358 M HA -0.095 4.393 4.480 0.013 0.000 0.264 358 M C 2.159 178.237 176.300 -0.371 0.000 1.067 358 M CA 0.727 55.873 55.300 -0.258 0.000 1.131 358 M CB -0.035 32.442 32.600 -0.204 0.000 1.368 358 M HN -0.040 nan 8.290 nan 0.000 0.416 359 V N -0.100 119.578 119.914 -0.393 0.000 2.307 359 V HA -0.202 3.926 4.120 0.013 0.000 0.245 359 V C 2.370 178.394 176.094 -0.117 0.000 1.045 359 V CA 1.467 63.613 62.300 -0.256 0.000 1.024 359 V CB -0.453 31.261 31.823 -0.182 0.000 0.651 359 V HN 0.244 nan 8.190 nan 0.000 0.449 360 V N 0.613 120.444 119.914 -0.137 0.000 2.255 360 V HA -0.283 3.845 4.120 0.013 0.000 0.247 360 V C 2.352 178.358 176.094 -0.147 0.000 1.051 360 V CA 2.374 64.621 62.300 -0.089 0.000 1.018 360 V CB -0.888 30.889 31.823 -0.078 0.000 0.641 360 V HN 0.560 nan 8.190 nan 0.000 0.445 361 N N -0.163 118.332 118.700 -0.343 0.000 2.205 361 N HA -0.192 4.556 4.740 0.013 0.000 0.186 361 N C 1.873 176.967 175.510 -0.694 0.000 1.015 361 N CA 1.546 54.205 53.050 -0.651 0.000 0.862 361 N CB -0.308 37.364 38.487 -1.359 0.000 0.986 361 N HN 0.599 nan 8.380 nan 0.000 0.429 362 E N 0.089 119.989 120.200 -0.500 0.000 2.107 362 E HA -0.003 4.355 4.350 0.013 0.000 0.191 362 E C 1.524 178.117 176.600 -0.011 0.000 0.982 362 E CA 1.132 57.395 56.400 -0.228 0.000 0.809 362 E CB -0.346 29.080 29.700 -0.456 0.000 0.756 362 E HN 0.195 nan 8.360 nan 0.000 0.459 363 T N 0.681 115.329 114.554 0.156 0.000 2.821 363 T HA -0.042 4.316 4.350 0.013 0.000 0.267 363 T C 1.742 176.554 174.700 0.188 0.000 1.046 363 T CA 1.048 63.346 62.100 0.329 0.000 1.139 363 T CB -0.167 68.879 68.868 0.298 0.000 0.871 363 T HN 0.126 nan 8.240 nan 0.000 0.454 364 L N 0.438 121.698 121.223 0.062 0.000 2.217 364 L HA 0.035 4.383 4.340 0.013 0.000 0.211 364 L C 2.841 179.728 176.870 0.027 0.000 1.107 364 L CA 0.895 55.736 54.840 0.001 0.000 0.783 364 L CB -0.367 41.655 42.059 -0.062 0.000 0.919 364 L HN 0.147 nan 8.230 nan 0.000 0.442 365 R N 0.547 121.105 120.500 0.097 0.000 2.073 365 R HA -0.167 4.182 4.340 0.013 0.000 0.234 365 R C 2.258 178.461 176.300 -0.161 0.000 1.134 365 R CA 1.439 57.538 56.100 -0.003 0.000 0.952 365 R CB -0.198 29.981 30.300 -0.203 0.000 0.850 365 R HN 0.318 nan 8.270 nan 0.000 0.433 366 L N -0.355 120.694 121.223 -0.290 0.000 2.201 366 L HA -0.048 4.301 4.340 0.013 0.000 0.212 366 L C 0.192 176.502 176.870 -0.933 0.000 1.105 366 L CA 0.823 55.252 54.840 -0.686 0.000 0.775 366 L CB 0.205 41.780 42.059 -0.807 0.000 0.913 366 L HN 0.117 nan 8.230 nan 0.000 0.440 367 F N -0.557 119.252 119.950 -0.234 0.000 2.646 367 F HA 0.283 4.818 4.527 0.013 0.000 0.336 367 F C -2.302 173.336 175.800 -0.271 0.000 1.437 367 F CA -2.268 55.507 58.000 -0.376 0.000 1.142 367 F CB 0.309 38.730 39.000 -0.964 0.000 1.530 367 F HN -0.187 nan 8.300 nan 0.000 0.591 368 P HA 0.102 nan 4.420 nan 0.000 0.273 368 P C 1.194 178.430 177.300 -0.107 0.000 1.319 368 P CA -0.032 62.975 63.100 -0.156 0.000 0.885 368 P CB 0.579 32.086 31.700 -0.321 0.000 1.015 369 I N 2.927 123.435 120.570 -0.104 0.000 2.236 369 I HA -0.288 3.890 4.170 0.013 0.000 0.249 369 I C 2.143 178.222 176.117 -0.063 0.000 1.102 369 I CA 1.801 63.072 61.300 -0.048 0.000 1.365 369 I CB -2.029 35.952 38.000 -0.032 0.000 1.051 369 I HN 0.269 nan 8.210 nan 0.000 0.420 370 A N -0.442 122.311 122.820 -0.110 0.000 2.014 370 A HA -0.100 4.228 4.320 0.013 0.000 0.218 370 A C 1.997 179.514 177.584 -0.112 0.000 1.163 370 A CA 1.669 53.640 52.037 -0.110 0.000 0.652 370 A CB -0.239 18.684 19.000 -0.129 0.000 0.808 370 A HN 0.506 nan 8.150 nan 0.000 0.449 371 M N -3.885 115.650 119.600 -0.109 0.000 2.822 371 M HA -0.279 4.209 4.480 0.013 0.000 0.153 371 M C 0.438 176.679 176.300 -0.099 0.000 0.689 371 M CA 2.134 57.390 55.300 -0.074 0.000 0.586 371 M CB -0.962 31.609 32.600 -0.049 0.000 2.147 371 M HN 0.455 nan 8.290 nan 0.000 0.262 372 R N -0.203 120.214 120.500 -0.138 0.000 2.795 372 R HA 0.781 5.129 4.340 0.013 0.000 0.275 372 R C -1.494 174.716 176.300 -0.149 0.000 0.981 372 R CA -1.007 55.008 56.100 -0.143 0.000 0.917 372 R CB 1.866 32.065 30.300 -0.169 0.000 1.202 372 R HN -0.088 nan 8.270 nan 0.000 0.469 373 L N 1.215 122.354 121.223 -0.141 0.000 2.330 373 L HA 0.512 4.860 4.340 0.013 0.000 0.271 373 L C -0.227 176.560 176.870 -0.138 0.000 1.013 373 L CA -0.296 54.465 54.840 -0.132 0.000 0.816 373 L CB 1.497 43.484 42.059 -0.120 0.000 1.287 373 L HN 0.674 nan 8.230 nan 0.000 0.435 374 E N 2.344 122.466 120.200 -0.130 0.000 2.321 374 E HA 0.628 4.986 4.350 0.013 0.000 0.278 374 E C -1.483 175.055 176.600 -0.103 0.000 0.902 374 E CA -0.806 55.521 56.400 -0.123 0.000 0.758 374 E CB 2.219 31.848 29.700 -0.118 0.000 1.213 374 E HN 0.524 nan 8.360 nan 0.000 0.426 375 R N 2.457 122.908 120.500 -0.083 0.000 2.548 375 R HA 0.362 4.710 4.340 0.013 0.000 0.280 375 R C -1.371 174.958 176.300 0.048 0.000 1.061 375 R CA -0.511 55.574 56.100 -0.025 0.000 0.915 375 R CB 2.163 32.448 30.300 -0.026 0.000 1.210 375 R HN 0.350 nan 8.270 nan 0.000 0.442 376 V N 2.566 122.506 119.914 0.044 0.000 2.732 376 V HA 0.206 4.335 4.120 0.013 0.000 0.297 376 V C 0.009 176.141 176.094 0.062 0.000 1.060 376 V CA -0.612 61.711 62.300 0.038 0.000 1.038 376 V CB 1.500 33.320 31.823 -0.004 0.000 1.003 376 V HN 0.845 nan 8.190 nan 0.000 0.481 377 C N 4.968 124.270 119.300 0.002 0.000 2.239 377 C HA 0.395 4.863 4.460 0.013 0.000 0.325 377 C C 1.467 176.330 174.990 -0.212 0.000 1.231 377 C CA -0.745 58.168 59.018 -0.175 0.000 1.652 377 C CB -0.547 27.157 27.740 -0.060 0.000 2.284 377 C HN 1.018 nan 8.230 nan 0.000 0.499 378 K N 2.599 122.825 120.400 -0.291 0.000 2.366 378 K HA 0.005 4.333 4.320 0.013 0.000 0.198 378 K C 0.164 176.672 176.600 -0.153 0.000 1.044 378 K CA 0.920 57.099 56.287 -0.181 0.000 0.973 378 K CB 0.108 32.513 32.500 -0.158 0.000 0.767 378 K HN 0.814 nan 8.250 nan 0.000 0.475 379 K N -0.239 120.041 120.400 -0.200 0.000 2.578 379 K HA 0.187 4.515 4.320 0.013 0.000 0.269 379 K C -1.824 174.697 176.600 -0.132 0.000 0.941 379 K CA -0.892 55.317 56.287 -0.129 0.000 0.847 379 K CB 1.127 33.569 32.500 -0.095 0.000 1.397 379 K HN -0.235 nan 8.250 nan 0.000 0.422 380 D N 2.135 122.505 120.400 -0.049 0.000 2.536 380 D HA 0.007 4.655 4.640 0.013 0.000 0.260 380 D C -0.474 175.854 176.300 0.047 0.000 1.270 380 D CA 0.444 54.447 54.000 0.005 0.000 0.934 380 D CB 0.925 41.894 40.800 0.282 0.000 1.129 380 D HN 0.268 nan 8.370 nan 0.000 0.533 381 V N 2.322 122.189 119.914 -0.078 0.000 3.001 381 V HA 0.300 4.428 4.120 0.013 0.000 0.314 381 V C -0.734 175.423 176.094 0.105 0.000 1.099 381 V CA -0.826 61.491 62.300 0.028 0.000 0.989 381 V CB 2.683 34.486 31.823 -0.034 0.000 1.040 381 V HN 0.433 nan 8.190 nan 0.000 0.434 382 E N 3.479 123.781 120.200 0.170 0.000 2.158 382 E HA 0.622 4.980 4.350 0.013 0.000 0.271 382 E C -1.421 175.246 176.600 0.111 0.000 0.911 382 E CA -0.452 56.059 56.400 0.185 0.000 0.767 382 E CB 1.716 31.530 29.700 0.190 0.000 1.120 382 E HN 0.626 nan 8.360 nan 0.000 0.405 383 I N 4.026 124.649 120.570 0.087 0.000 2.466 383 I HA 0.185 4.363 4.170 0.013 0.000 0.289 383 I C -0.214 175.918 176.117 0.025 0.000 1.026 383 I CA -0.670 60.659 61.300 0.049 0.000 1.078 383 I CB 1.640 39.658 38.000 0.030 0.000 1.249 383 I HN 0.639 nan 8.210 nan 0.000 0.429 384 N N 5.956 124.662 118.700 0.010 0.000 2.745 384 N HA -0.276 4.472 4.740 0.013 0.000 0.271 384 N C 0.903 176.423 175.510 0.016 0.000 0.960 384 N CA 0.994 54.045 53.050 0.002 0.000 0.833 384 N CB -0.515 37.959 38.487 -0.021 0.000 0.919 384 N HN 1.163 nan 8.380 nan 0.000 0.566 385 G N -0.329 108.491 108.800 0.033 0.000 2.345 385 G HA2 -0.319 3.649 3.960 0.013 0.000 0.218 385 G HA3 -0.319 3.649 3.960 0.013 0.000 0.218 385 G C 0.001 174.941 174.900 0.066 0.000 1.058 385 G CA 0.296 45.422 45.100 0.042 0.000 0.632 385 G HN 0.455 nan 8.290 nan 0.000 0.508 386 M N 1.056 120.698 119.600 0.070 0.000 2.336 386 M HA 0.731 5.219 4.480 0.013 0.000 0.342 386 M C -0.732 175.657 176.300 0.148 0.000 1.128 386 M CA -1.107 54.251 55.300 0.097 0.000 1.016 386 M CB 1.366 33.998 32.600 0.053 0.000 1.665 386 M HN 0.210 nan 8.290 nan 0.000 0.445 387 F N 5.721 125.687 119.950 0.026 0.000 2.385 387 F HA 0.631 5.162 4.527 0.006 0.000 0.336 387 F C -1.313 174.510 175.800 0.038 0.000 1.100 387 F CA -0.547 57.471 58.000 0.030 0.000 1.116 387 F CB 0.690 39.702 39.000 0.020 0.000 1.166 387 F HN 0.451 nan 8.300 nan 0.000 0.511 388 I N 7.829 127.855 120.570 -0.906 0.000 2.468 388 I HA 0.301 4.479 4.170 0.013 0.000 0.284 388 I C -2.357 173.174 176.117 -0.977 0.000 1.038 388 I CA -2.129 58.742 61.300 -0.715 0.000 1.083 388 I CB 1.877 39.747 38.000 -0.217 0.000 1.223 388 I HN 0.424 nan 8.210 nan 0.000 0.443 389 P HA 0.036 nan 4.420 nan 0.000 0.272 389 P C -0.623 176.542 177.300 -0.227 0.000 1.240 389 P CA -0.478 62.368 63.100 -0.423 0.000 0.791 389 P CB 0.880 32.482 31.700 -0.164 0.000 0.978 390 K N 0.452 120.777 120.400 -0.125 0.000 2.489 390 K HA 0.170 4.498 4.320 0.013 0.000 0.278 390 K C 1.193 177.752 176.600 -0.068 0.000 1.000 390 K CA 1.082 57.314 56.287 -0.092 0.000 1.012 390 K CB -0.630 31.842 32.500 -0.046 0.000 0.903 390 K HN 0.799 nan 8.250 nan 0.000 0.485 391 G N 2.039 110.802 108.800 -0.062 0.000 2.284 391 G HA2 -0.262 3.706 3.960 0.013 0.000 0.230 391 G HA3 -0.262 3.706 3.960 0.013 0.000 0.230 391 G C 0.043 174.923 174.900 -0.033 0.000 1.021 391 G CA 0.023 45.103 45.100 -0.033 0.000 0.619 391 G HN 0.574 nan 8.290 nan 0.000 0.510 392 V N 1.707 121.587 119.914 -0.058 0.000 2.788 392 V HA 0.317 4.445 4.120 0.013 0.000 0.307 392 V C 1.218 177.292 176.094 -0.034 0.000 1.069 392 V CA 0.176 62.440 62.300 -0.060 0.000 1.173 392 V CB 1.627 33.400 31.823 -0.083 0.000 0.925 392 V HN 0.391 nan 8.190 nan 0.000 0.492 393 V N 6.021 125.901 119.914 -0.056 0.000 2.406 393 V HA 0.203 4.331 4.120 0.013 0.000 0.272 393 V C 0.194 176.222 176.094 -0.110 0.000 1.043 393 V CA -0.331 61.930 62.300 -0.065 0.000 0.915 393 V CB 1.403 33.178 31.823 -0.079 0.000 0.988 393 V HN 0.593 nan 8.190 nan 0.000 0.466 394 V N 6.805 126.665 119.914 -0.090 0.000 2.498 394 V HA 0.371 4.499 4.120 0.013 0.000 0.279 394 V C 0.224 176.193 176.094 -0.209 0.000 1.048 394 V CA -0.167 62.026 62.300 -0.178 0.000 0.967 394 V CB 1.411 33.093 31.823 -0.235 0.000 0.988 394 V HN 0.805 nan 8.190 nan 0.000 0.473 395 M N 6.436 125.882 119.600 -0.257 0.000 2.253 395 M HA 0.571 5.059 4.480 0.013 0.000 0.314 395 M C -1.567 174.587 176.300 -0.243 0.000 1.019 395 M CA -0.605 54.561 55.300 -0.222 0.000 0.932 395 M CB 1.580 34.069 32.600 -0.186 0.000 1.606 395 M HN 0.470 nan 8.290 nan 0.000 0.430 396 I N 8.450 128.905 120.570 -0.192 0.000 2.337 396 I HA 0.303 4.481 4.170 0.013 0.000 0.285 396 I C -1.823 174.211 176.117 -0.138 0.000 1.041 396 I CA -1.478 59.717 61.300 -0.175 0.000 1.199 396 I CB 1.244 39.156 38.000 -0.148 0.000 1.370 396 I HN 0.375 nan 8.210 nan 0.000 0.470 397 P HA 0.107 nan 4.420 nan 0.000 0.235 397 P C 0.657 177.913 177.300 -0.073 0.000 1.765 397 P CA 0.138 63.211 63.100 -0.044 0.000 1.034 397 P CB 0.463 32.193 31.700 0.049 0.000 1.984 398 S N 0.849 116.459 115.700 -0.151 0.000 2.381 398 S HA -0.252 4.226 4.470 0.013 0.000 0.230 398 S C 1.534 175.853 174.600 -0.468 0.000 1.052 398 S CA 1.421 59.423 58.200 -0.329 0.000 1.068 398 S CB -1.237 61.724 63.200 -0.399 0.000 0.918 398 S HN 0.406 nan 8.310 nan 0.000 0.448 399 Y N 2.016 122.095 120.300 -0.368 0.000 2.165 399 Y HA -0.212 4.345 4.550 0.013 0.000 0.286 399 Y C 2.408 178.229 175.900 -0.133 0.000 1.155 399 Y CA 1.287 59.222 58.100 -0.275 0.000 1.164 399 Y CB -0.717 37.645 38.460 -0.163 0.000 0.978 399 Y HN 0.230 nan 8.280 nan 0.000 0.513 400 A N 0.079 122.944 122.820 0.075 0.000 1.873 400 A HA -0.128 4.200 4.320 0.013 0.000 0.215 400 A C 2.240 179.848 177.584 0.040 0.000 1.186 400 A CA 1.730 53.815 52.037 0.080 0.000 0.616 400 A CB -1.121 17.956 19.000 0.129 0.000 0.823 400 A HN 0.528 nan 8.150 nan 0.000 0.442 401 L N -1.195 120.044 121.223 0.027 0.000 2.131 401 L HA -0.197 4.151 4.340 0.013 0.000 0.210 401 L C 2.350 179.437 176.870 0.362 0.000 1.092 401 L CA 1.306 56.236 54.840 0.150 0.000 0.759 401 L CB -0.851 41.253 42.059 0.075 0.000 0.903 401 L HN 0.535 nan 8.230 nan 0.000 0.435 402 H N -0.165 118.901 119.070 -0.005 0.000 2.545 402 H HA -0.029 4.535 4.556 0.013 0.000 0.282 402 H C 1.325 176.338 175.328 -0.524 0.000 1.020 402 H CA 0.398 56.309 56.048 -0.229 0.000 1.243 402 H CB 0.273 29.808 29.762 -0.378 0.000 1.377 402 H HN 0.276 nan 8.280 nan 0.000 0.581 403 R N 0.618 121.040 120.500 -0.129 0.000 2.629 403 R HA 0.041 4.389 4.340 0.013 0.000 0.386 403 R C -0.580 175.796 176.300 0.127 0.000 1.071 403 R CA -0.211 55.806 56.100 -0.139 0.000 1.104 403 R CB 0.733 30.871 30.300 -0.271 0.000 1.370 403 R HN 0.063 nan 8.270 nan 0.000 0.574 404 D N 1.096 121.722 120.400 0.377 0.000 2.339 404 D HA 0.115 4.763 4.640 0.013 0.000 0.241 404 D C -1.691 174.842 176.300 0.389 0.000 1.183 404 D CA -2.454 51.800 54.000 0.423 0.000 0.859 404 D CB 1.748 42.891 40.800 0.571 0.000 1.067 404 D HN -0.128 nan 8.370 nan 0.000 0.484 405 P HA -0.211 nan 4.420 nan 0.000 0.216 405 P C 1.258 178.570 177.300 0.020 0.000 1.154 405 P CA 1.474 64.637 63.100 0.106 0.000 0.865 405 P CB 0.228 31.951 31.700 0.037 0.000 0.789 406 K N -1.298 119.062 120.400 -0.066 0.000 2.144 406 K HA -0.229 4.099 4.320 0.013 0.000 0.209 406 K C 1.416 177.716 176.600 -0.500 0.000 1.047 406 K CA 1.833 57.924 56.287 -0.326 0.000 0.927 406 K CB -0.402 31.805 32.500 -0.487 0.000 0.716 406 K HN 0.221 nan 8.250 nan 0.000 0.454 407 Y N -2.840 117.377 120.300 -0.138 0.000 2.462 407 Y HA 0.193 4.752 4.550 0.013 0.000 0.253 407 Y C -0.297 175.211 175.900 -0.654 0.000 1.095 407 Y CA -0.643 57.181 58.100 -0.460 0.000 1.283 407 Y CB 0.525 38.590 38.460 -0.659 0.000 1.138 407 Y HN 0.005 nan 8.280 nan 0.000 0.522 408 W N 0.923 122.258 121.300 0.059 0.000 2.715 408 W HA 0.484 5.152 4.660 0.013 0.000 0.331 408 W C -0.597 175.900 176.519 -0.037 0.000 1.031 408 W CA -1.236 56.097 57.345 -0.019 0.000 1.237 408 W CB 0.982 30.426 29.460 -0.027 0.000 1.378 408 W HN -0.316 nan 8.180 nan 0.000 0.454 409 T N 0.052 114.688 114.554 0.138 0.000 2.907 409 T HA 0.180 4.538 4.350 0.013 0.000 0.298 409 T C 0.286 175.034 174.700 0.080 0.000 1.017 409 T CA -0.549 61.595 62.100 0.073 0.000 1.118 409 T CB 1.039 69.920 68.868 0.021 0.000 0.948 409 T HN 0.522 nan 8.240 nan 0.000 0.531 410 E N 0.837 121.069 120.200 0.053 0.000 2.210 410 E HA -0.148 4.210 4.350 0.013 0.000 0.201 410 E C -1.951 174.668 176.600 0.032 0.000 1.339 410 E CA 0.119 56.543 56.400 0.039 0.000 0.699 410 E CB -1.326 28.394 29.700 0.033 0.000 1.126 410 E HN 0.573 nan 8.360 nan 0.000 0.355 411 P HA -0.217 nan 4.420 nan 0.000 0.216 411 P C 1.111 178.357 177.300 -0.091 0.000 1.153 411 P CA 1.661 64.753 63.100 -0.013 0.000 0.858 411 P CB 0.176 31.883 31.700 0.012 0.000 0.789 412 E N -0.601 119.573 120.200 -0.044 0.000 2.274 412 E HA -0.060 4.298 4.350 0.013 0.000 0.194 412 E C 0.535 177.133 176.600 -0.003 0.000 0.996 412 E CA 0.826 57.201 56.400 -0.041 0.000 0.840 412 E CB -0.705 28.997 29.700 0.003 0.000 0.772 412 E HN 0.283 nan 8.360 nan 0.000 0.491 413 K N 0.515 120.926 120.400 0.017 0.000 2.185 413 K HA 0.188 4.516 4.320 0.013 0.000 0.271 413 K C -0.742 175.891 176.600 0.055 0.000 1.013 413 K CA -0.738 55.592 56.287 0.073 0.000 0.943 413 K CB 0.500 33.043 32.500 0.073 0.000 0.998 413 K HN -0.008 nan 8.250 nan 0.000 0.468 414 F N 4.815 124.714 119.950 -0.085 0.000 2.439 414 F HA 0.211 4.746 4.527 0.013 0.000 0.356 414 F C -0.798 174.913 175.800 -0.149 0.000 1.161 414 F CA -0.317 57.576 58.000 -0.179 0.000 1.151 414 F CB 0.019 38.795 39.000 -0.373 0.000 1.222 414 F HN 0.243 nan 8.300 nan 0.000 0.558 415 L N 9.374 130.354 121.223 -0.404 0.000 2.417 415 L HA 0.303 4.651 4.340 0.013 0.000 0.259 415 L C -1.865 174.804 176.870 -0.336 0.000 1.023 415 L CA -1.648 53.022 54.840 -0.283 0.000 0.901 415 L CB 1.496 43.490 42.059 -0.109 0.000 1.227 415 L HN 0.375 nan 8.230 nan 0.000 0.454 416 P HA -0.165 nan 4.420 nan 0.000 0.221 416 P C 1.085 178.353 177.300 -0.053 0.000 1.145 416 P CA 0.978 63.898 63.100 -0.301 0.000 0.795 416 P CB 0.321 31.802 31.700 -0.364 0.000 0.775 417 E N -0.184 120.003 120.200 -0.023 0.000 2.153 417 E HA -0.161 4.197 4.350 0.013 0.000 0.194 417 E C 1.926 178.508 176.600 -0.030 0.000 0.988 417 E CA 0.835 57.245 56.400 0.016 0.000 0.811 417 E CB -0.562 29.146 29.700 0.014 0.000 0.746 417 E HN 0.358 nan 8.360 nan 0.000 0.466 418 R N -0.293 120.155 120.500 -0.086 0.000 2.153 418 R HA -0.174 4.174 4.340 0.013 0.000 0.252 418 R C 1.540 177.615 176.300 -0.375 0.000 1.158 418 R CA 1.500 57.459 56.100 -0.235 0.000 0.975 418 R CB -0.408 29.701 30.300 -0.318 0.000 0.871 418 R HN 0.165 nan 8.270 nan 0.000 0.450 419 F N 0.474 120.362 119.950 -0.103 0.000 2.641 419 F HA 0.121 4.655 4.527 0.013 0.000 0.302 419 F C 1.079 176.839 175.800 -0.067 0.000 1.098 419 F CA -0.478 57.456 58.000 -0.110 0.000 1.318 419 F CB 0.194 39.099 39.000 -0.157 0.000 1.035 419 F HN -0.082 nan 8.300 nan 0.000 0.551 420 S N -0.455 115.284 115.700 0.065 0.000 2.608 420 S HA 0.089 4.568 4.470 0.013 0.000 0.261 420 S C 1.475 176.088 174.600 0.023 0.000 1.314 420 S CA -0.610 57.623 58.200 0.055 0.000 0.992 420 S CB 1.241 64.468 63.200 0.046 0.000 0.935 420 S HN 0.258 nan 8.310 nan 0.000 0.564 421 K N 1.633 122.049 120.400 0.025 0.000 2.152 421 K HA -0.151 4.177 4.320 0.013 0.000 0.206 421 K C 2.026 178.621 176.600 -0.008 0.000 1.048 421 K CA 1.948 58.242 56.287 0.010 0.000 0.933 421 K CB -0.267 32.241 32.500 0.014 0.000 0.721 421 K HN 0.740 nan 8.250 nan 0.000 0.447 422 K N -0.514 119.879 120.400 -0.011 0.000 2.217 422 K HA -0.071 4.257 4.320 0.013 0.000 0.202 422 K C 0.900 177.474 176.600 -0.044 0.000 1.051 422 K CA 1.803 58.076 56.287 -0.023 0.000 0.952 422 K CB -0.162 32.327 32.500 -0.019 0.000 0.736 422 K HN 0.309 nan 8.250 nan 0.000 0.453 423 N N 1.022 119.687 118.700 -0.058 0.000 2.348 423 N HA 0.000 4.748 4.740 0.013 0.000 0.183 423 N C 1.322 176.747 175.510 -0.141 0.000 1.094 423 N CA -0.073 52.917 53.050 -0.100 0.000 0.885 423 N CB 0.327 38.748 38.487 -0.110 0.000 1.065 423 N HN 0.269 nan 8.380 nan 0.000 0.472 424 K N 1.074 121.405 120.400 -0.116 0.000 2.360 424 K HA -0.112 4.216 4.320 0.013 0.000 0.201 424 K C 0.263 176.789 176.600 -0.123 0.000 1.046 424 K CA 1.324 57.531 56.287 -0.133 0.000 0.940 424 K CB 0.011 32.488 32.500 -0.039 0.000 0.748 424 K HN 0.049 nan 8.250 nan 0.000 0.465 425 D N 2.016 122.358 120.400 -0.096 0.000 2.117 425 D HA -0.132 4.516 4.640 0.013 0.000 0.197 425 D C 1.247 177.476 176.300 -0.119 0.000 0.987 425 D CA 0.869 54.818 54.000 -0.085 0.000 0.829 425 D CB -0.458 40.306 40.800 -0.061 0.000 0.961 425 D HN 0.315 nan 8.370 nan 0.000 0.460 426 N N 0.430 119.039 118.700 -0.151 0.000 2.666 426 N HA -0.061 4.687 4.740 0.013 0.000 0.194 426 N C 0.051 175.386 175.510 -0.292 0.000 1.220 426 N CA 0.340 53.274 53.050 -0.193 0.000 0.928 426 N CB 0.457 38.827 38.487 -0.195 0.000 0.997 426 N HN 0.299 nan 8.380 nan 0.000 0.447 427 I N 0.842 121.239 120.570 -0.289 0.000 2.330 427 I HA 0.063 4.241 4.170 0.013 0.000 0.289 427 I C -0.022 175.958 176.117 -0.227 0.000 1.001 427 I CA -0.720 60.353 61.300 -0.378 0.000 1.193 427 I CB 1.450 39.200 38.000 -0.415 0.000 1.345 427 I HN -0.220 nan 8.210 nan 0.000 0.461 428 D N 9.555 129.809 120.400 -0.243 0.000 2.343 428 D HA 0.138 4.786 4.640 0.013 0.000 0.255 428 D C -1.530 174.734 176.300 -0.060 0.000 1.187 428 D CA -1.897 52.030 54.000 -0.121 0.000 0.875 428 D CB 1.742 42.462 40.800 -0.134 0.000 1.136 428 D HN 0.267 nan 8.370 nan 0.000 0.469 429 P HA -0.092 nan 4.420 nan 0.000 0.230 429 P C 0.392 177.486 177.300 -0.344 0.000 1.158 429 P CA 0.753 63.747 63.100 -0.177 0.000 0.769 429 P CB 0.060 31.564 31.700 -0.327 0.000 0.807 430 Y N -1.518 118.782 120.300 0.000 0.000 2.467 430 Y HA 0.172 4.731 4.550 0.015 0.000 0.250 430 Y C 2.233 178.100 175.900 -0.055 0.000 1.155 430 Y CA -0.117 57.966 58.100 -0.028 0.000 1.249 430 Y CB 0.016 38.444 38.460 -0.054 0.000 1.146 430 Y HN -0.178 nan 8.280 nan 0.000 0.524 431 I N -1.358 119.229 120.570 0.027 0.000 3.081 431 I HA -0.103 4.075 4.170 0.013 0.000 0.274 431 I C -0.061 176.206 176.117 0.251 0.000 1.178 431 I CA 0.627 61.910 61.300 -0.028 0.000 1.460 431 I CB -0.469 37.290 38.000 -0.401 0.000 1.137 431 I HN 0.060 nan 8.210 nan 0.000 0.443 432 Y N 2.787 123.149 120.300 0.103 0.000 2.491 432 Y HA 0.332 4.890 4.550 0.013 0.000 0.334 432 Y C 0.343 176.342 175.900 0.165 0.000 0.969 432 Y CA -0.776 57.394 58.100 0.116 0.000 1.241 432 Y CB 0.602 39.145 38.460 0.138 0.000 1.105 432 Y HN 0.046 nan 8.280 nan 0.000 0.503 433 T N 4.022 118.614 114.554 0.064 0.000 3.584 433 T HA 0.239 4.597 4.350 0.013 0.000 0.259 433 T C -2.188 172.398 174.700 -0.190 0.000 1.009 433 T CA -1.271 60.790 62.100 -0.066 0.000 1.103 433 T CB 0.471 69.330 68.868 -0.014 0.000 1.099 433 T HN 0.438 nan 8.240 nan 0.000 0.539 434 P HA 0.011 nan 4.420 nan 0.000 0.221 434 P C 0.223 177.114 177.300 -0.680 0.000 1.145 434 P CA 0.763 63.540 63.100 -0.539 0.000 0.795 434 P CB -0.184 31.074 31.700 -0.737 0.000 0.775 435 F N -1.175 118.692 119.950 -0.138 0.000 2.724 435 F HA 0.442 4.977 4.527 0.013 0.000 0.310 435 F C 1.640 177.394 175.800 -0.076 0.000 1.107 435 F CA 0.359 58.307 58.000 -0.087 0.000 1.218 435 F CB 0.264 39.225 39.000 -0.065 0.000 1.042 435 F HN 0.025 nan 8.300 nan 0.000 0.540 436 G N 0.608 109.424 108.800 0.026 0.000 2.593 436 G HA2 -0.004 3.964 3.960 0.013 0.000 0.237 436 G HA3 -0.004 3.964 3.960 0.013 0.000 0.237 436 G C -0.279 174.634 174.900 0.021 0.000 1.312 436 G CA -0.263 44.840 45.100 0.005 0.000 0.896 436 G HN 0.361 nan 8.290 nan 0.000 0.574 437 S N -1.348 114.364 115.700 0.020 0.000 2.611 437 S HA 0.856 5.334 4.470 0.013 0.000 0.268 437 S C 0.440 175.067 174.600 0.045 0.000 1.156 437 S CA 1.137 59.353 58.200 0.028 0.000 0.817 437 S CB 1.132 64.349 63.200 0.028 0.000 1.122 437 S HN 2.954 nan 8.310 nan 0.000 0.466 438 G N 1.860 110.695 108.800 0.059 0.000 2.728 438 G HA2 -0.098 3.870 3.960 0.013 0.000 0.294 438 G HA3 -0.098 3.870 3.960 0.013 0.000 0.294 438 G C -2.622 172.312 174.900 0.056 0.000 1.342 438 G CA -0.315 44.814 45.100 0.047 0.000 0.866 438 G HN 0.540 nan 8.290 nan 0.000 0.534 439 P HA -0.065 nan 4.420 nan 0.000 0.223 439 P C 1.327 178.817 177.300 0.317 0.000 1.140 439 P CA 1.682 64.887 63.100 0.175 0.000 0.783 439 P CB 0.028 31.797 31.700 0.115 0.000 0.759 440 R N -1.208 119.395 120.500 0.172 0.000 2.616 440 R HA 0.088 4.436 4.340 0.013 0.000 0.427 440 R C 0.538 176.877 176.300 0.065 0.000 1.030 440 R CA -0.328 55.862 56.100 0.149 0.000 1.133 440 R CB -0.120 30.102 30.300 -0.129 0.000 1.444 440 R HN 0.156 nan 8.270 nan 0.000 0.578 441 N N -0.323 118.417 118.700 0.067 0.000 2.262 441 N HA -0.103 4.646 4.740 0.013 0.000 0.260 441 N C -0.222 175.318 175.510 0.050 0.000 1.305 441 N CA -0.303 52.779 53.050 0.052 0.000 0.913 441 N CB -0.048 38.470 38.487 0.052 0.000 1.116 441 N HN 0.021 nan 8.380 nan 0.000 0.512 442 C N 0.829 120.171 119.300 0.070 0.000 2.662 442 C HA 0.118 4.586 4.460 0.013 0.000 0.402 442 C C 2.253 177.190 174.990 -0.088 0.000 1.397 442 C CA -0.608 58.436 59.018 0.043 0.000 1.575 442 C CB -2.337 25.520 27.740 0.194 0.000 2.406 442 C HN 0.681 nan 8.230 nan 0.000 0.609 443 I N 4.451 124.906 120.570 -0.193 0.000 2.567 443 I HA -0.026 4.152 4.170 0.013 0.000 0.257 443 I C 1.981 177.707 176.117 -0.652 0.000 1.184 443 I CA 1.881 62.915 61.300 -0.444 0.000 1.451 443 I CB 0.079 37.697 38.000 -0.637 0.000 1.089 443 I HN 0.889 nan 8.210 nan 0.000 0.441 444 G N -0.184 108.351 108.800 -0.441 0.000 3.523 444 G HA2 0.028 3.996 3.960 0.013 0.000 0.270 444 G HA3 0.028 3.996 3.960 0.013 0.000 0.270 444 G C 1.191 176.089 174.900 -0.003 0.000 1.134 444 G CA -0.312 44.676 45.100 -0.187 0.000 0.825 444 G HN 0.261 nan 8.290 nan 0.000 0.534 445 M N 0.291 119.790 119.600 -0.168 0.000 2.084 445 M HA -0.099 4.389 4.480 0.013 0.000 0.259 445 M C 2.705 178.813 176.300 -0.321 0.000 1.072 445 M CA 1.561 56.570 55.300 -0.484 0.000 1.107 445 M CB -0.072 32.158 32.600 -0.618 0.000 1.299 445 M HN 0.223 nan 8.290 nan 0.000 0.413 446 R N -0.805 119.625 120.500 -0.117 0.000 2.091 446 R HA -0.185 4.163 4.340 0.013 0.000 0.238 446 R C 2.076 178.442 176.300 0.110 0.000 1.136 446 R CA 1.984 58.080 56.100 -0.006 0.000 0.959 446 R CB -0.718 29.630 30.300 0.080 0.000 0.856 446 R HN 0.445 nan 8.270 nan 0.000 0.437 447 F N 1.336 121.339 119.950 0.089 0.000 2.095 447 F HA -0.185 4.350 4.527 0.013 0.000 0.298 447 F C 2.211 178.083 175.800 0.120 0.000 1.104 447 F CA 1.454 59.553 58.000 0.165 0.000 1.232 447 F CB -0.440 38.748 39.000 0.313 0.000 0.987 447 F HN -0.008 nan 8.300 nan 0.000 0.475 448 A N 0.696 123.531 122.820 0.025 0.000 1.873 448 A HA -0.110 4.218 4.320 0.013 0.000 0.215 448 A C 2.332 179.873 177.584 -0.072 0.000 1.186 448 A CA 1.732 53.741 52.037 -0.047 0.000 0.616 448 A CB -1.205 17.883 19.000 0.146 0.000 0.823 448 A HN 0.496 nan 8.150 nan 0.000 0.442 449 L N -1.672 119.511 121.223 -0.067 0.000 2.046 449 L HA -0.217 4.131 4.340 0.013 0.000 0.208 449 L C 2.773 179.599 176.870 -0.074 0.000 1.077 449 L CA 1.769 56.575 54.840 -0.057 0.000 0.747 449 L CB -0.434 41.567 42.059 -0.096 0.000 0.896 449 L HN 0.478 nan 8.230 nan 0.000 0.432 450 M N 0.258 119.808 119.600 -0.083 0.000 2.099 450 M HA -0.223 4.265 4.480 0.013 0.000 0.262 450 M C 1.993 178.237 176.300 -0.093 0.000 1.067 450 M CA 1.757 57.018 55.300 -0.065 0.000 1.124 450 M CB -0.930 31.679 32.600 0.015 0.000 1.353 450 M HN 0.231 nan 8.290 nan 0.000 0.410 451 N N -0.560 118.002 118.700 -0.229 0.000 2.104 451 N HA -0.191 4.557 4.740 0.013 0.000 0.190 451 N C 1.750 177.256 175.510 -0.008 0.000 1.024 451 N CA 1.807 54.746 53.050 -0.184 0.000 0.853 451 N CB -0.073 38.120 38.487 -0.491 0.000 1.008 451 N HN 0.454 nan 8.380 nan 0.000 0.424 452 M N 0.581 120.147 119.600 -0.057 0.000 2.132 452 M HA -0.099 4.389 4.480 0.013 0.000 0.263 452 M C 2.151 178.397 176.300 -0.090 0.000 1.065 452 M CA 1.313 56.569 55.300 -0.075 0.000 1.122 452 M CB -0.106 32.446 32.600 -0.079 0.000 1.365 452 M HN 0.067 nan 8.290 nan 0.000 0.411 453 K N 0.310 120.672 120.400 -0.063 0.000 1.991 453 K HA -0.183 4.146 4.320 0.013 0.000 0.212 453 K C 1.839 178.422 176.600 -0.028 0.000 1.049 453 K CA 1.254 57.511 56.287 -0.050 0.000 0.932 453 K CB -0.341 32.130 32.500 -0.048 0.000 0.717 453 K HN 0.085 nan 8.250 nan 0.000 0.441 454 L N 0.927 122.152 121.223 0.003 0.000 2.034 454 L HA -0.285 4.063 4.340 0.013 0.000 0.217 454 L C 2.390 179.275 176.870 0.026 0.000 1.077 454 L CA 2.188 57.057 54.840 0.048 0.000 0.769 454 L CB -1.385 40.739 42.059 0.108 0.000 0.890 454 L HN 0.264 nan 8.230 nan 0.000 0.435 455 A N -1.522 121.264 122.820 -0.056 0.000 1.902 455 A HA -0.168 4.160 4.320 0.013 0.000 0.217 455 A C 2.186 179.686 177.584 -0.140 0.000 1.181 455 A CA 1.378 53.248 52.037 -0.278 0.000 0.623 455 A CB -0.594 17.972 19.000 -0.723 0.000 0.818 455 A HN 0.325 nan 8.150 nan 0.000 0.443 456 L N -0.001 121.152 121.223 -0.117 0.000 2.056 456 L HA -0.133 4.215 4.340 0.013 0.000 0.207 456 L C 2.395 179.283 176.870 0.029 0.000 1.078 456 L CA 1.240 56.046 54.840 -0.058 0.000 0.749 456 L CB -0.958 41.054 42.059 -0.078 0.000 0.901 456 L HN 0.299 nan 8.230 nan 0.000 0.433 457 I N -0.636 119.950 120.570 0.027 0.000 2.076 457 I HA -0.279 3.899 4.170 0.013 0.000 0.237 457 I C 2.657 178.819 176.117 0.076 0.000 1.059 457 I CA 1.180 62.511 61.300 0.052 0.000 1.317 457 I CB -1.191 36.833 38.000 0.041 0.000 1.037 457 I HN 0.294 nan 8.210 nan 0.000 0.398 458 R N 0.590 121.137 120.500 0.077 0.000 2.112 458 R HA -0.158 4.190 4.340 0.013 0.000 0.242 458 R C 2.393 178.784 176.300 0.151 0.000 1.137 458 R CA 1.111 57.269 56.100 0.097 0.000 0.944 458 R CB -1.361 29.004 30.300 0.109 0.000 0.857 458 R HN 0.260 nan 8.270 nan 0.000 0.435 459 V N 1.125 121.175 119.914 0.227 0.000 2.392 459 V HA -0.219 3.909 4.120 0.013 0.000 0.249 459 V C 2.176 178.540 176.094 0.450 0.000 1.059 459 V CA 1.507 64.064 62.300 0.428 0.000 1.051 459 V CB -0.286 31.792 31.823 0.424 0.000 0.658 459 V HN 0.131 nan 8.190 nan 0.000 0.455 460 L N -0.288 121.104 121.223 0.281 0.000 2.354 460 L HA -0.000 4.348 4.340 0.013 0.000 0.212 460 L C 2.487 179.436 176.870 0.131 0.000 1.091 460 L CA 1.561 56.552 54.840 0.251 0.000 0.828 460 L CB -0.809 41.364 42.059 0.190 0.000 0.973 460 L HN 0.584 nan 8.230 nan 0.000 0.461 461 Q N -1.817 118.027 119.800 0.074 0.000 2.311 461 Q HA -0.080 4.268 4.340 0.013 0.000 0.203 461 Q C 1.264 177.219 176.000 -0.075 0.000 0.954 461 Q CA 1.164 56.973 55.803 0.010 0.000 0.885 461 Q CB -0.156 28.588 28.738 0.010 0.000 0.963 461 Q HN 0.515 nan 8.270 nan 0.000 0.471 462 N N -0.569 118.043 118.700 -0.147 0.000 2.349 462 N HA 0.119 4.867 4.740 0.013 0.000 0.180 462 N C -0.208 174.919 175.510 -0.638 0.000 1.024 462 N CA 0.555 53.308 53.050 -0.496 0.000 0.869 462 N CB 0.349 38.360 38.487 -0.794 0.000 1.022 462 N HN 0.070 nan 8.380 nan 0.000 0.433 463 F N -0.009 119.941 119.950 0.001 0.000 2.613 463 F HA 0.469 5.004 4.527 0.013 0.000 0.342 463 F C 0.377 176.105 175.800 -0.120 0.000 1.066 463 F CA -0.874 57.044 58.000 -0.137 0.000 1.002 463 F CB 1.613 40.415 39.000 -0.331 0.000 1.319 463 F HN -0.341 nan 8.300 nan 0.000 0.495 464 S N 0.414 116.077 115.700 -0.061 0.000 2.547 464 S HA 0.735 5.213 4.470 0.013 0.000 0.281 464 S C -1.590 172.868 174.600 -0.236 0.000 1.118 464 S CA -0.450 57.737 58.200 -0.023 0.000 0.947 464 S CB 0.386 63.599 63.200 0.021 0.000 1.053 464 S HN 0.348 nan 8.310 nan 0.000 0.482 465 F N 2.867 122.855 119.950 0.062 0.000 2.469 465 F HA 0.644 5.180 4.527 0.014 0.000 0.332 465 F C 0.515 176.314 175.800 -0.001 0.000 1.103 465 F CA -0.622 57.392 58.000 0.023 0.000 0.979 465 F CB 1.876 40.889 39.000 0.022 0.000 1.137 465 F HN 0.370 nan 8.300 nan 0.000 0.463 466 K N 2.740 123.218 120.400 0.131 0.000 2.477 466 K HA 0.511 4.839 4.320 0.013 0.000 0.255 466 K C -2.850 173.766 176.600 0.027 0.000 0.952 466 K CA -2.096 54.222 56.287 0.052 0.000 0.826 466 K CB 2.504 35.014 32.500 0.016 0.000 1.331 466 K HN 0.188 nan 8.250 nan 0.000 0.437 467 P HA 0.099 nan 4.420 nan 0.000 0.272 467 P C -0.486 176.809 177.300 -0.009 0.000 1.230 467 P CA -0.572 62.512 63.100 -0.027 0.000 0.788 467 P CB 0.496 32.160 31.700 -0.061 0.000 0.949 468 C N 0.687 119.987 119.300 -0.001 0.000 3.221 468 C HA 0.531 4.999 4.460 0.013 0.000 0.371 468 C C 1.851 176.843 174.990 0.004 0.000 2.951 468 C CA -0.295 58.723 59.018 -0.000 0.000 1.273 468 C CB 0.442 28.181 27.740 -0.001 0.000 3.371 468 C HN 0.567 nan 8.230 nan 0.000 0.457 469 K N 0.717 121.119 120.400 0.003 0.000 2.062 469 K HA 0.004 4.332 4.320 0.013 0.000 0.205 469 K C 1.729 178.334 176.600 0.009 0.000 1.051 469 K CA 2.216 58.505 56.287 0.004 0.000 0.941 469 K CB -0.246 32.254 32.500 0.000 0.000 0.719 469 K HN 0.752 nan 8.250 nan 0.000 0.440 470 E N 0.344 120.549 120.200 0.009 0.000 2.479 470 E HA 0.019 4.377 4.350 0.013 0.000 0.193 470 E C -0.654 175.961 176.600 0.025 0.000 1.049 470 E CA 0.007 56.414 56.400 0.011 0.000 0.870 470 E CB 0.387 30.089 29.700 0.003 0.000 0.944 470 E HN 0.270 nan 8.360 nan 0.000 0.492 471 T N 1.999 116.574 114.554 0.036 0.000 2.784 471 T HA 0.039 4.397 4.350 0.013 0.000 0.291 471 T C 0.033 174.789 174.700 0.093 0.000 0.942 471 T CA 0.096 62.238 62.100 0.071 0.000 1.161 471 T CB 0.838 69.741 68.868 0.057 0.000 0.885 471 T HN 0.089 nan 8.240 nan 0.000 0.534 472 Q N 2.677 122.550 119.800 0.122 0.000 2.262 472 Q HA 0.227 4.575 4.340 0.013 0.000 0.272 472 Q C -0.613 175.510 176.000 0.205 0.000 1.076 472 Q CA 0.249 56.123 55.803 0.118 0.000 0.905 472 Q CB 0.174 28.951 28.738 0.065 0.000 1.182 472 Q HN 0.549 nan 8.270 nan 0.000 0.390 473 I N 5.799 126.453 120.570 0.139 0.000 2.468 473 I HA 0.289 4.467 4.170 0.013 0.000 0.285 473 I C -1.784 174.394 176.117 0.102 0.000 1.039 473 I CA -1.648 59.741 61.300 0.149 0.000 1.074 473 I CB 1.466 39.516 38.000 0.084 0.000 1.228 473 I HN 0.539 nan 8.210 nan 0.000 0.436 474 P HA 0.388 nan 4.420 nan 0.000 0.279 474 P C -0.881 176.509 177.300 0.151 0.000 1.276 474 P CA -0.765 62.442 63.100 0.178 0.000 0.801 474 P CB 0.899 32.686 31.700 0.145 0.000 1.127 475 L N 0.515 121.824 121.223 0.144 0.000 2.416 475 L HA 0.257 4.605 4.340 0.013 0.000 0.272 475 L C 0.350 177.223 176.870 0.005 0.000 1.161 475 L CA 0.152 54.956 54.840 -0.060 0.000 0.845 475 L CB 0.043 41.823 42.059 -0.465 0.000 1.119 475 L HN 0.276 nan 8.230 nan 0.000 0.464 476 K N 3.243 123.634 120.400 -0.015 0.000 2.110 476 K HA 0.607 4.936 4.320 0.013 0.000 0.263 476 K C -1.172 175.438 176.600 0.016 0.000 0.975 476 K CA -0.473 55.820 56.287 0.009 0.000 0.895 476 K CB 1.150 33.648 32.500 -0.002 0.000 1.060 476 K HN 0.392 nan 8.250 nan 0.000 0.448 477 L N 1.365 122.609 121.223 0.034 0.000 2.331 477 L HA 0.375 4.723 4.340 0.013 0.000 0.275 477 L C -0.215 176.646 176.870 -0.014 0.000 1.022 477 L CA -0.228 54.636 54.840 0.041 0.000 0.812 477 L CB 1.589 43.676 42.059 0.046 0.000 1.257 477 L HN 0.743 nan 8.230 nan 0.000 0.435 478 S N 2.730 118.416 115.700 -0.023 0.000 2.510 478 S HA 0.259 4.737 4.470 0.013 0.000 0.279 478 S C 0.336 174.885 174.600 -0.086 0.000 1.284 478 S CA -0.439 57.730 58.200 -0.052 0.000 1.059 478 S CB -0.134 63.035 63.200 -0.053 0.000 0.901 478 S HN 0.492 nan 8.310 nan 0.000 0.491 479 L N 4.090 125.258 121.223 -0.091 0.000 2.939 479 L HA 0.352 4.700 4.340 0.013 0.000 0.239 479 L C 1.207 177.983 176.870 -0.156 0.000 1.325 479 L CA -0.473 54.290 54.840 -0.128 0.000 1.170 479 L CB -1.368 40.635 42.059 -0.093 0.000 1.538 479 L HN 0.946 nan 8.230 nan 0.000 0.452 480 G N -0.855 107.844 108.800 -0.167 0.000 3.135 480 G HA2 0.457 4.425 3.960 0.013 0.000 0.159 480 G HA3 0.457 4.425 3.960 0.013 0.000 0.159 480 G C 0.812 175.555 174.900 -0.262 0.000 1.244 480 G CA 0.257 45.250 45.100 -0.179 0.000 0.965 480 G HN 0.159 nan 8.290 nan 0.000 0.599 481 G N -0.118 108.575 108.800 -0.178 0.000 2.505 481 G HA2 0.182 4.150 3.960 0.013 0.000 0.214 481 G HA3 0.182 4.150 3.960 0.013 0.000 0.214 481 G C 0.871 175.749 174.900 -0.037 0.000 1.237 481 G CA 1.174 46.199 45.100 -0.126 0.000 0.802 481 G HN 0.732 nan 8.290 nan 0.000 0.549 482 L N -1.233 119.967 121.223 -0.038 0.000 2.387 482 L HA 0.607 4.956 4.340 0.013 0.000 0.266 482 L C 0.068 176.932 176.870 -0.009 0.000 1.059 482 L CA -0.959 53.876 54.840 -0.010 0.000 0.801 482 L CB 1.450 43.498 42.059 -0.019 0.000 1.223 482 L HN -0.044 nan 8.230 nan 0.000 0.456 483 L N 2.183 123.415 121.223 0.015 0.000 2.363 483 L HA 0.294 4.642 4.340 0.013 0.000 0.286 483 L C -0.754 176.199 176.870 0.139 0.000 1.106 483 L CA 0.294 55.166 54.840 0.054 0.000 0.859 483 L CB 0.241 42.327 42.059 0.045 0.000 1.223 483 L HN 0.834 nan 8.230 nan 0.000 0.446 484 Q N 4.924 124.797 119.800 0.122 0.000 2.511 484 Q HA 0.544 4.892 4.340 0.013 0.000 0.289 484 Q C -2.674 173.353 176.000 0.045 0.000 1.021 484 Q CA -2.015 53.828 55.803 0.066 0.000 0.785 484 Q CB 1.410 30.113 28.738 -0.057 0.000 1.472 484 Q HN 0.319 nan 8.270 nan 0.000 0.411 485 P HA 0.001 nan 4.420 nan 0.000 0.281 485 P C -1.002 176.236 177.300 -0.103 0.000 1.252 485 P CA -0.283 62.739 63.100 -0.130 0.000 0.778 485 P CB 0.591 32.098 31.700 -0.322 0.000 0.895 486 E N 4.514 124.677 120.200 -0.061 0.000 2.328 486 E HA 0.016 4.374 4.350 0.013 0.000 0.265 486 E C -0.446 176.117 176.600 -0.061 0.000 1.057 486 E CA -0.323 56.044 56.400 -0.055 0.000 0.916 486 E CB -0.052 29.626 29.700 -0.037 0.000 0.993 486 E HN 0.358 nan 8.360 nan 0.000 0.446 487 K N 4.228 124.592 120.400 -0.060 0.000 6.490 487 K HA -0.068 4.260 4.320 0.013 0.000 0.811 487 K C -2.569 173.982 176.600 -0.082 0.000 2.112 487 K CA -0.089 56.164 56.287 -0.057 0.000 1.664 487 K CB -0.276 32.201 32.500 -0.038 0.000 2.161 487 K HN 0.446 nan 8.250 nan 0.000 0.289 488 P HA -0.017 nan 4.420 nan 0.000 0.269 488 P C -0.181 177.061 177.300 -0.096 0.000 1.217 488 P CA -0.364 62.670 63.100 -0.111 0.000 0.783 488 P CB 0.450 32.099 31.700 -0.086 0.000 0.898 489 V N 1.919 121.761 119.914 -0.120 0.000 2.572 489 V HA 0.095 4.223 4.120 0.013 0.000 0.291 489 V C 0.617 176.697 176.094 -0.024 0.000 1.039 489 V CA 0.006 62.269 62.300 -0.062 0.000 1.055 489 V CB 0.786 32.562 31.823 -0.077 0.000 0.969 489 V HN 0.227 nan 8.190 nan 0.000 0.482 490 V N 6.743 126.665 119.914 0.013 0.000 2.487 490 V HA 0.577 4.705 4.120 0.013 0.000 0.298 490 V C -0.281 175.835 176.094 0.036 0.000 1.028 490 V CA -0.458 61.849 62.300 0.010 0.000 0.860 490 V CB 1.617 33.440 31.823 0.000 0.000 0.991 490 V HN 0.666 nan 8.190 nan 0.000 0.427 491 L N 3.265 124.513 121.223 0.042 0.000 2.422 491 L HA 0.582 4.930 4.340 0.013 0.000 0.264 491 L C -0.265 176.629 176.870 0.040 0.000 0.984 491 L CA -0.891 53.992 54.840 0.073 0.000 0.819 491 L CB 2.626 44.788 42.059 0.172 0.000 1.330 491 L HN 0.521 nan 8.230 nan 0.000 0.410 492 K N 1.753 122.165 120.400 0.021 0.000 2.363 492 K HA 0.343 4.671 4.320 0.013 0.000 0.289 492 K C -1.033 175.524 176.600 -0.071 0.000 1.063 492 K CA -0.224 56.049 56.287 -0.024 0.000 0.967 492 K CB 0.565 33.053 32.500 -0.020 0.000 0.987 492 K HN 0.317 nan 8.250 nan 0.000 0.473 493 V N 4.798 124.622 119.914 -0.149 0.000 2.370 493 V HA 0.284 4.412 4.120 0.013 0.000 0.279 493 V C -0.429 175.518 176.094 -0.245 0.000 1.029 493 V CA -0.582 61.511 62.300 -0.345 0.000 0.870 493 V CB 1.365 32.920 31.823 -0.446 0.000 0.984 493 V HN 0.786 nan 8.190 nan 0.000 0.451 494 E N 2.143 122.212 120.200 -0.218 0.000 2.256 494 E HA 0.435 4.793 4.350 0.013 0.000 0.268 494 E C -0.755 175.869 176.600 0.040 0.000 0.877 494 E CA -0.368 55.993 56.400 -0.065 0.000 0.757 494 E CB 2.212 31.880 29.700 -0.054 0.000 1.183 494 E HN 0.629 nan 8.360 nan 0.000 0.418 495 S N 1.851 117.618 115.700 0.112 0.000 2.584 495 S HA 0.262 4.740 4.470 0.013 0.000 0.270 495 S C 0.121 174.709 174.600 -0.020 0.000 1.346 495 S CA -0.219 58.024 58.200 0.071 0.000 1.018 495 S CB 0.479 63.709 63.200 0.050 0.000 0.899 495 S HN 0.353 nan 8.310 nan 0.000 0.542 496 R N 0.000 120.453 120.500 -0.079 0.000 2.786 496 R HA 0.000 4.348 4.340 0.013 0.000 0.208 496 R CA 0.000 56.065 56.100 -0.058 0.000 0.921 496 R CB 0.000 30.259 30.300 -0.068 0.000 0.687 496 R HN 0.000 nan 8.270 nan 0.000 0.535